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

Formula:C22H17N6OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
MolecularFormula	C22H17N6OClS
Smiles	O=C(CSc1nnc(-c2ccccc2)n1-c(cc1)ccc1Cl)N/N=C\c1cnccc1
InChI	InChI=1S/C22H17ClN6OS/c23-18-8-10-19(11-9-18)29-21(17-6-2-1-3-7-17)27-28-22(29)31-15-20(30)26-25-14-16-5-4-12-24-13-16/h1-14H,15H2,(H,26,30)
InChIK	KLIJZCHPMAFDNI-UHFFFAOYSA-N
TotalMolweight	448.937
Molweight	448.937
MonoisotopicMass	448.087306
CLogP	4.1369
CLogS	-8.357
H Acceptors	7
H Donors	1
TotalSurfaceArea	338.66
Relative PSA	0.27544
PolarSurfaceArea	110.36
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	4
StereoCon

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

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