Mrv1572004191601272D          

 39 41  0  0  0  0            999 V2000
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    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
CHEM004557

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(=C(\[H])C1=CC=C(C=C1)C(F)(F)F)C(=NNC1=NCC(C)(C)CN1)C(\[H])=C(/[H])C1=CC=C(C=C1)C(F)(F)F

> <INCHI_IDENTIFIER>
InChI=1S/C25H24F6N4/c1-23(2)15-32-22(33-16-23)35-34-21(13-7-17-3-9-19(10-4-17)24(26,27)28)14-8-18-5-11-20(12-6-18)25(29,30)31/h3-14H,15-16H2,1-2H3,(H2,32,33,35)/b13-7+,14-8+

> <INCHI_KEY>
IQVNEKKDSLOHHK-FNCQTZNRSA-N

> <FORMULA>
C25H24F6N4

> <MOLECULAR_WEIGHT>
494.485

> <EXACT_MASS>
494.190515767

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
47.95288402574556

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]hydrazin-1-yl}-5,5-dimethyl-1,4,5,6-tetrahydropyrimidine

> <ALOGPS_LOGP>
2.80

> <JCHEM_LOGP>
7.223730913999999

> <ALOGPS_LOGS>
-6.23

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
6.919316216923962

> <JCHEM_POLAR_SURFACE_AREA>
48.78

> <JCHEM_REFRACTIVITY>
136.6954

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.93e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
hydramethylnon

> <JCHEM_VEBER_RULE>
0

> <NAME>
Hydramethylnon

> <CAS>
67485-29-4

> <SYNONYMS>
2-{2-[(1E,4E)-1,5-bis[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ylidene]hydrazin-1-ylidene}-5,5-dimethyl-1,3-diazinane; 5,5-dimethyl-perhydro-pyrimidin-2-one  .alpha.-(4-trifluoromethylstyryl)-.alpha.- (4-trifluoromethyl)cinnamylidenehydrazone; Tetrahydro-5,5-dimethyl-2(1H)-pyrimidinone(3-(4-(tri|

$$$$