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

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

MolName	2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C24H17N5OClF3S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)N/N=C\c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C24H17ClF3N5OS/c25-18-12-10-16(11-13-18)22-31-32-23(33(22)19-7-2-1-3-8-19)35-15-21(34)30-29-14-17-6-4-5-9-20(17)24(26,27)28/h1-14H,15H2,(H,30,34)
InChIK	DKMBZZDJUDYGML-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	0.51429
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	6
Aromatic Nitrogens	3
StereoCon

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

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