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

Formula:C27H19N5OCl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
MolecularFormula	C27H19N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1cccc2ccccc12
InChI	InChI=1S/C27H19Cl2N5OS/c28-21-10-8-19(9-11-21)26-32-33-27(34(26)23-14-12-22(29)13-15-23)36-17-25(35)31-30-16-20-6-3-5-18-4-1-2-7-24(18)20/h1-16H,17H2,(H,31,35)
InChIK	BSKPORMUONSKGK-UHFFFAOYSA-N
TotalMolweight	532.454
Molweight	532.454
MonoisotopicMass	531.068734
CLogP	6.9382
CLogS	-11.494
H Acceptors	6
H Donors	1
TotalSurfaceArea	389.92
Relative PSA	0.21109
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	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

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