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

Formula:C25H20N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.

MolName	N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
MolecularFormula	C25H20N5OClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H20ClN5OS/c26-21(16-19-10-4-1-5-11-19)17-27-28-23(32)18-33-25-30-29-24(20-12-6-2-7-13-20)31(25)22-14-8-3-9-15-22/h1-17H,18H2,(H,28,32)
InChIK	OLIRZVIYIFWBKA-UHFFFAOYSA-N
TotalMolweight	473.987
Molweight	473.987
MonoisotopicMass	473.107707
CLogP	5.0117
CLogS	-9.399
H Acceptors	6
H Donors	1
TotalSurfaceArea	364.61
Relative PSA	0.22575
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	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	8
Electronegative Atoms	8
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 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

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