2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide

Formula:C23H15N5OCl3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
MolecularFormula	C23H15N5OCl3FS
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c(c(F)ccc1)c1Cl
InChI	InChI=1S/C23H15Cl3FN5OS/c24-15-6-4-14(5-7-15)22-30-31-23(32(22)17-10-8-16(25)9-11-17)34-13-21(33)29-28-12-18-19(26)2-1-3-20(18)27/h1-12H,13H2,(H,29,33)
InChIK	FXDCRPMVWSOSLE-UHFFFAOYSA-N
TotalMolweight	534.829
Molweight	534.829
MonoisotopicMass	533.004689
CLogP	6.4506
CLogS	-10.938
H Acceptors	6
H Donors	1
TotalSurfaceArea	377.09
Relative PSA	0.21828
PolarSurfaceArea	97.47
Druglikeness	4.1089
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	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide

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