N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

Formula:C23H17N6O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.

MolName	N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C23H17N6O3ClS
Smiles	[O-][N+](c(cc(/C=N\NC(CSc1nnc(-c2ccccc2)n1-c1ccccc1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C23H17ClN6O3S/c24-19-12-11-16(13-20(19)30(32)33)14-25-26-21(31)15-34-23-28-27-22(17-7-3-1-4-8-17)29(23)18-9-5-2-6-10-18/h1-14H,15H2,(H,26,31)
InChIK	BFWZHSWDEAMXEH-UHFFFAOYSA-N
TotalMolweight	492.946
Molweight	492.946
MonoisotopicMass	492.077136
CLogP	4.2162
CLogS	-9.612
H Acceptors	9
H Donors	1
TotalSurfaceArea	363.57
Relative PSA	0.31006
PolarSurfaceArea	143.29
Druglikeness	0.3391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

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