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

Formula:C25H19N5OCl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H19N5OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C25H19Cl2N5OS/c26-20-10-8-19(9-11-20)24-30-31-25(32(24)22-14-12-21(27)13-15-22)34-17-23(33)29-28-16-4-7-18-5-2-1-3-6-18/h1-16H,17H2,(H,29,33)
InChIK	AFWUVRSIZJSZRI-UHFFFAOYSA-N
TotalMolweight	508.432
Molweight	508.432
MonoisotopicMass	507.068734
CLogP	5.7621
CLogS	-10.18
H Acceptors	6
H Donors	1
TotalSurfaceArea	381.82
Relative PSA	0.21557
PolarSurfaceArea	97.47
Druglikeness	5.4971
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58824
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

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