2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

Formula:C24H17N5OClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C24H17N5OClF3S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C24H17ClF3N5OS/c25-19-10-12-20(13-11-19)33-22(17-4-2-1-3-5-17)31-32-23(33)35-15-21(34)30-29-14-16-6-8-18(9-7-16)24(26,27)28/h1-14H,15H2,(H,30,34)
InChIK	LALGQDNBFXSCLP-UHFFFAOYSA-N
TotalMolweight	515.946
Molweight	515.946
MonoisotopicMass	515.079441
CLogP	5.9861
CLogS	-9.93
H Acceptors	6
H Donors	1
TotalSurfaceArea	369.36
Relative PSA	0.22284
PolarSurfaceArea	97.47
Druglikeness	-1.7411
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	8
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

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