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

Formula:C25H19N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-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)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H19N5OCl2S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H19Cl2N5OS/c26-20-11-13-22(14-12-20)32-24(19-9-5-2-6-10-19)30-31-25(32)34-17-23(33)29-28-16-21(27)15-18-7-3-1-4-8-18/h1-16H,17H2,(H,29,33)
InChIK	WZCVUJGJGJPJGH-UHFFFAOYSA-N
TotalMolweight	508.432
Molweight	508.432
MonoisotopicMass	507.068734
CLogP	5.6177
CLogS	-10.135
H Acceptors	6
H Donors	1
TotalSurfaceArea	380.03
Relative PSA	0.21659
PolarSurfaceArea	97.47
Druglikeness	5.6996
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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

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