2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

Formula:C27H26N5OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C27H26N5OClS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1C1CCCCC1)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H26ClN5OS/c28-22-15-13-20(14-16-22)26-31-32-27(33(26)23-10-2-1-3-11-23)35-18-25(34)30-29-17-21-9-6-8-19-7-4-5-12-24(19)21/h4-9,12-17,23H,1-3,10-11,18H2,(H,30,34)
InChIK	RPEWXXKHXDHVAU-UHFFFAOYSA-N
TotalMolweight	504.056
Molweight	504.056
MonoisotopicMass	503.154657
CLogP	6.8464
CLogS	-7.948
H Acceptors	6
H Donors	1
TotalSurfaceArea	382.54
Relative PSA	0.21517
PolarSurfaceArea	97.47
Druglikeness	0.364
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	8
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

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