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

Formula:C24H16N5OCl2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
MolecularFormula	C24H16N5OCl2F3S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C24H16Cl2F3N5OS/c25-18-7-3-16(4-8-18)22-32-33-23(34(22)20-11-9-19(26)10-12-20)36-14-21(35)31-30-13-15-1-5-17(6-2-15)24(27,28)29/h1-13H,14H2,(H,31,35)
InChIK	FBOYNMQJJQFPAF-UHFFFAOYSA-N
TotalMolweight	550.391
Molweight	550.391
MonoisotopicMass	549.040468
CLogP	6.5921
CLogS	-10.666
H Acceptors	6
H Donors	1
TotalSurfaceArea	384.78
Relative PSA	0.21391
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	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	12
Electronegative Atoms	12
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide

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