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

Formula:C25H18N5OCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C25H18N5OCl3S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C25H18Cl3N5OS/c26-19-8-6-18(7-9-19)24-31-32-25(33(24)22-12-10-20(27)11-13-22)35-16-23(34)30-29-15-21(28)14-17-4-2-1-3-5-17/h1-15H,16H2,(H,30,34)
InChIK	FZQREWNAWBVLGA-UHFFFAOYSA-N
TotalMolweight	542.877
Molweight	542.877
MonoisotopicMass	541.029761
CLogP	6.2237
CLogS	-10.871
H Acceptors	6
H Donors	1
TotalSurfaceArea	395.45
Relative PSA	0.20814
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	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	10
Electronegative Atoms	10
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)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

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