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

Formula:C24H18N5OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C24H18N5OF3S
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C24H18F3N5OS/c25-24(26,27)19-11-7-8-17(14-19)15-28-29-21(33)16-34-23-31-30-22(18-9-3-1-4-10-18)32(23)20-12-5-2-6-13-20/h1-15H,16H2,(H,29,33)
InChIK	WQLHARWUTAVSNU-UHFFFAOYSA-N
TotalMolweight	481.501
Molweight	481.501
MonoisotopicMass	481.118414
CLogP	5.3801
CLogS	-9.194
H Acceptors	6
H Donors	1
TotalSurfaceArea	353.94
Relative PSA	0.23255
PolarSurfaceArea	97.47
Druglikeness	-1.7645
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	10
Electronegative Atoms	10
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-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide

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