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

Formula:C25H19N6O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C25H19N6O3ClS
Smiles	[O-][N+](c1c(/C=C/C=N\NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Cl)=O)cccc1)=O
InChI	InChI=1S/C25H19ClN6O3S/c26-20-12-14-21(15-13-20)31-24(19-8-2-1-3-9-19)29-30-25(31)36-17-23(33)28-27-16-6-10-18-7-4-5-11-22(18)32(34)35/h1-16H,17H2,(H,28,33)
InChIK	MOFWGRUBDMAKPL-UHFFFAOYSA-N
TotalMolweight	518.984
Molweight	518.984
MonoisotopicMass	518.092786
CLogP	4.2345
CLogS	-9.904
H Acceptors	9
H Donors	1
TotalSurfaceArea	390.07
Relative PSA	0.289
PolarSurfaceArea	143.29
Druglikeness	0.41667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
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-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

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