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

Formula:C23H24N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
MolecularFormula	C23H24N6O3S
Smiles	[O-][N+](c1ccc(/C=N\NC(CSc2nnc(-c3ccccc3)n2C2CCCCC2)=O)cc1)=O
InChI	InChI=1S/C23H24N6O3S/c30-21(25-24-15-17-11-13-20(14-12-17)29(31)32)16-33-23-27-26-22(18-7-3-1-4-8-18)28(23)19-9-5-2-6-10-19/h1,3-4,7-8,11-15,19H,2,5-6,9-10,16H2,(H,25,30)
InChIK	KHNYZKXGOKFJTC-UHFFFAOYSA-N
TotalMolweight	464.549
Molweight	464.549
MonoisotopicMass	464.163059
CLogP	4.1244
CLogS	-6.066
H Acceptors	9
H Donors	1
TotalSurfaceArea	356.19
Relative PSA	0.31649
PolarSurfaceArea	143.29
Druglikeness	-4.7381
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	9
Symmetricatoms	6
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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

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