Mrv1572004221604352D          

 34 35  0  0  0  0            999 V2000
    3.9238    3.1555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260    3.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2442    0.4760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6419    0.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5018    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2163    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7874    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9308    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0729    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6453    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3002    0.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0183    2.9910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4995    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2176    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1071    0.7660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8253    3.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7850    1.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5031    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1391    2.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8573    1.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9676    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6858    1.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.0742    2.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3584    2.1705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3597    1.7580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2139    1.7580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9321    2.1705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6440    0.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5196    1.4805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2378    2.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0705    2.1705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7887    1.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
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 16 12  1  0  0  0  0
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 20  4  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 25  9  1  4  0  0  0
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 34 18  1  0  0  0  0
 34 24  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012969

> <DATABASE_NAME>
chemdb

> <SMILES>
CC(C)C1OCCN1CCOC(O)=NCCCCCCN=C(O)OCCN1CCOC1C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)

> <INCHI_KEY>
KQYKAMMEDGWORJ-UHFFFAOYSA-N

> <FORMULA>
C24H46N4O6

> <MOLECULAR_WEIGHT>
486.654

> <EXACT_MASS>
486.341735217

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
56.65277364141129

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(6-{[hydroxy({2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethoxy})methylidene]amino}hexyl){2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethoxy}carboximidic acid

> <ALOGPS_LOGP>
2.47

> <JCHEM_LOGP>
1.0598013667134982

> <ALOGPS_LOGS>
-3.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
4.531431385712554

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.9756176497162077

> <JCHEM_PKA_STRONGEST_BASIC>
6.689441883227344

> <JCHEM_POLAR_SURFACE_AREA>
108.58000000000003

> <JCHEM_REFRACTIVITY>
131.55780000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.04e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-[6-({hydroxy[2-(2-isopropyl-1,3-oxazolidin-3-yl)ethoxy]methylidene}amino)hexyl][2-(2-isopropyl-1,3-oxazolidin-3-yl)ethoxy]carboximidic acid

> <JCHEM_VEBER_RULE>
0

> <NAME>
Carbamic acid, 1,6-hexanediylbis-, bis[2-[2-(1-methylethyl)-3-oxazolidinyl]ethyl] ester

> <CAS>
59719-67-4

> <SYNONYMS>
bis[2-[2-(1-methylethyl)-3-oxazolidinyl]ethyl] hexan-1,2-diylbiscarbamate; Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate

$$$$