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

Formula:C27H20N5OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C27H20N5OClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H20ClN5OS/c28-22-13-15-23(16-14-22)33-26(20-8-2-1-3-9-20)31-32-27(33)35-18-25(34)30-29-17-21-11-6-10-19-7-4-5-12-24(19)21/h1-17H,18H2,(H,30,34)
InChIK	MNWFRSOZVBLWAB-UHFFFAOYSA-N
TotalMolweight	498.009
Molweight	498.009
MonoisotopicMass	497.107707
CLogP	6.3322
CLogS	-10.758
H Acceptors	6
H Donors	1
TotalSurfaceArea	374.5
Relative PSA	0.21979
PolarSurfaceArea	97.47
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	27
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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