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

Formula:C23H17N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-benzylideneamino]-2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-benzylideneamino]-2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
MolecularFormula	C23H17N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1ccccc1
InChI	InChI=1S/C23H17Cl2N5OS/c24-18-8-6-17(7-9-18)22-28-29-23(30(22)20-12-10-19(25)11-13-20)32-15-21(31)27-26-14-16-4-2-1-3-5-16/h1-14H,15H2,(H,27,31)
InChIK	CNJGAJSEIDQQAF-UHFFFAOYSA-N
TotalMolweight	482.394
Molweight	482.394
MonoisotopicMass	481.053084
CLogP	5.7438
CLogS	-9.888
H Acceptors	6
H Donors	1
TotalSurfaceArea	355.32
Relative PSA	0.23165
PolarSurfaceArea	97.47
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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