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Showing structure for CHEM009713: Formamide, N,N'-1,6-hexanediylbis[N-(2,2,6,6-tetramethyl-4-piperidinyl)-
14419064 -OEChem-10091917103D 82 83 0 0 0 0 0 0 0999 V2000 3.5600 -3.3184 -1.4228 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 3.4823 1.2779 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8269 0.7128 -0.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.7601 -0.8601 0.1968 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1170 -1.4093 -0.1691 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 1.4893 0.1193 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -0.1446 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6877 1.3325 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5917 -1.3711 0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5116 -0.0420 -1.0066 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1444 -0.4386 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1532 0.4455 -0.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3777 -1.1259 0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5423 0.3290 -1.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5150 -0.2860 1.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4219 1.0240 -0.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 0.6842 2.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -0.9719 1.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 1.7981 -2.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1815 2.5925 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9983 -2.6289 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1140 -1.8045 2.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8389 0.6876 -1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1865 -0.9115 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8404 -1.2782 0.5215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9126 1.4075 -0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -0.4035 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 0.6339 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5003 -0.2834 0.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4884 0.5496 -0.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3383 -2.4346 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4922 2.5441 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7421 0.2680 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -0.2676 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1015 -1.6502 1.6357 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7392 -1.9052 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8575 -0.3682 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 0.8518 -1.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6113 -0.7325 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8823 0.4258 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8400 1.8092 -0.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1693 1.5215 -1.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5229 1.4177 0.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4070 -1.6189 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0441 1.4561 2.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3039 0.0443 3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3027 1.1723 2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6684 -0.3255 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0928 -1.5704 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6748 -1.6632 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0192 2.5463 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 2.2467 -2.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6402 0.9593 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 3.2574 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6139 2.3725 0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5087 3.1670 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 -3.1279 0.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4358 -2.4162 -0.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7791 -3.3577 0.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5877 -0.9678 2.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2977 -2.1721 2.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8572 -2.6065 2.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6453 -0.0231 -1.5381 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7326 1.3462 -2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1633 1.3078 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9004 -1.7368 -2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1823 -1.3357 -2.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2432 -0.3174 -3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4109 -2.2817 0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0130 -0.8971 1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 0.9682 -1.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5363 2.4264 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 0.5971 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6956 -0.8188 -1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 1.0897 1.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 -0.3847 0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6433 0.1761 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0848 -1.2846 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0908 1.5636 -0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 0.1154 -1.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3455 -2.4066 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5025 2.4791 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 2 0 0 0 0 2 32 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 43 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 44 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 6 32 1 0 0 0 0 7 13 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 16 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 60 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 25 69 1 0 0 0 0 25 70 1 0 0 0 0 26 28 1 0 0 0 0 26 71 1 0 0 0 0 26 72 1 0 0 0 0 27 29 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 30 1 0 0 0 0 28 75 1 0 0 0 0 28 76 1 0 0 0 0 29 30 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 79 1 0 0 0 0 30 80 1 0 0 0 0 31 81 1 0 0 0 0 32 82 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 14419064 > <PUBCHEM_CONFORMER_RMSD> 1.6 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 3 34 18 2 24 12 7 21 15 6 30 5 19 17 20 31 26 4 16 32 11 13 22 33 23 14 9 25 8 28 27 29 10 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 20 1 -0.57 10 0.27 11 0.3 12 0.3 2 -0.57 25 0.3 26 0.3 3 -0.9 31 0.57 32 0.57 4 -0.9 43 0.36 44 0.36 5 -0.66 6 -0.66 7 0.27 8 0.27 81 0.06 82 0.06 9 0.27 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 13.4 > <PUBCHEM_PHARMACOPHORE_FEATURES> 13 1 1 acceptor 1 2 acceptor 1 3 cation 1 3 donor 1 4 cation 1 4 donor 3 10 23 24 hydrophobe 3 7 17 18 hydrophobe 3 8 19 20 hydrophobe 3 9 21 22 hydrophobe 4 27 28 29 30 hydrophobe 6 3 7 8 11 13 14 rings 6 4 9 10 12 15 16 rings > <PUBCHEM_HEAVY_ATOM_COUNT> 32 > <PUBCHEM_ATOM_DEF_STEREO_COUNT> 0 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_DEF_STEREO_COUNT> 0 > <PUBCHEM_BOND_UDEF_STEREO_COUNT> 0 > <PUBCHEM_ISOTOPIC_ATOM_COUNT> 0 > <PUBCHEM_COMPONENT_COUNT> 1 > <PUBCHEM_CACTVS_TAUTO_COUNT> 1 > <PUBCHEM_CONFORMER_ID> 00DC047800000001 > <PUBCHEM_MMFF94_ENERGY> 52.8412 > <PUBCHEM_FEATURE_SELFOVERLAP> 65.972 > <PUBCHEM_SHAPE_FINGERPRINT> 10162869 55 18259696805782873782 10299344 5 12319738068327773588 10391435 84 18334857234319275843 11315181 36 18333734616173440745 11476731 50 17345734404986829991 12643181 29 18114178636786427411 13914758 101 12685087064543331645 14118638 360 18130508539413807353 14461889 52 18410295809301007154 14856354 85 16200151019799053717 150020 25 18186803577700336718 15183329 4 18202003239385753460 15461852 350 17167865248882713038 21150785 3 18342453738195141757 22149856 69 18129958779552872482 23389318 12 18342733057393519981 23559900 14 18334852866801889281 24771293 8 18113909242988556332 335507 130 18202561774513597806 397638 26 12757154579998417905 4073 2 18269561546581837923 44880568 143 18187931608212217293 45377200 153 14979662352095305949 4625314 4 18040995120374699214 5109719 28 17846492682312041912 70634741 139 18334574621508573493 > <PUBCHEM_SHAPE_MULTIPOLES> 626.88 34.59 2.81 1.82 1.39 0.16 -0.02 -0.93 -0.2 -0.26 0.06 -0.11 -0.1 -0.14 > <PUBCHEM_SHAPE_SELFOVERLAP> 1241.446 > <PUBCHEM_SHAPE_VOLUME> 373 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM009713: Formamide, N,N'-1,6-hexanediylbis[N-(2,2,6,6-tetramethyl-4-piperidinyl)-
