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

Formula:C24H18N7O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-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-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
MolecularFormula	C24H18N7O3ClS
Smiles	[O-][N+](c1c(/C=C/C=N\NC(CSc2nnc(-c3ccncc3)n2-c(cc2)ccc2Cl)=O)cccc1)=O
InChI	InChI=1S/C24H18ClN7O3S/c25-19-7-9-20(10-8-19)31-23(18-11-14-26-15-12-18)29-30-24(31)36-16-22(33)28-27-13-3-5-17-4-1-2-6-21(17)32(34)35/h1-15H,16H2,(H,28,33)
InChIK	KWLSXZIEXINXFE-UHFFFAOYSA-N
TotalMolweight	519.972
Molweight	519.972
MonoisotopicMass	519.088035
CLogP	3.2336
CLogS	-9.109
H Acceptors	10
H Donors	1
TotalSurfaceArea	388.83
Relative PSA	0.31813
PolarSurfaceArea	156.18
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	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	4
AcidicOxygens	1
StereoCon

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

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