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

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

MolName	2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H20N6O3S
Smiles	[O-][N+](c1cccc(-c(n2-c3ccccc3)nnc2SCC(N/N=C\C=C\c2ccccc2)=O)c1)=O
InChI	InChI=1S/C25H20N6O3S/c32-23(27-26-16-8-11-19-9-3-1-4-10-19)18-35-25-29-28-24(30(25)21-13-5-2-6-14-21)20-12-7-15-22(17-20)31(33)34/h1-17H,18H2,(H,27,32)
InChIK	YVTYIMWIWNKJFZ-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	0.57143
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-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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