2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

Formula:C25H20N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C25H20N6O3S
Smiles	[O-][N+](c1c(/C=C/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)cccc1)=O
InChI	InChI=1S/C25H20N6O3S/c32-23(27-26-17-9-13-19-10-7-8-16-22(19)31(33)34)18-35-25-29-28-24(20-11-3-1-4-12-20)30(25)21-14-5-2-6-15-21/h1-17H,18H2,(H,27,32)
InChIK	SEKMOWVKUFSEPW-UHFFFAOYSA-N
TotalMolweight	484.539
Molweight	484.539
MonoisotopicMass	484.131759
CLogP	3.6285
CLogS	-9.168
H Acceptors	9
H Donors	1
TotalSurfaceArea	374.65
Relative PSA	0.30089
PolarSurfaceArea	143.29
Druglikeness	0.37622
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	9
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 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

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