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

Formula:C21H16N7OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
MolecularFormula	C21H16N7OClS
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c1ccncc1
InChI	InChI=1S/C21H16ClN7OS/c22-17-1-3-18(4-2-17)29-20(16-7-11-24-12-8-16)27-28-21(29)31-14-19(30)26-25-13-15-5-9-23-10-6-15/h1-13H,14H2,(H,26,30)
InChIK	KWIXOEGCYAORIQ-UHFFFAOYSA-N
TotalMolweight	449.925
Molweight	449.925
MonoisotopicMass	449.082555
CLogP	3.136
CLogS	-7.562
H Acceptors	8
H Donors	1
TotalSurfaceArea	337.42
Relative PSA	0.30896
PolarSurfaceArea	123.25
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	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	5
StereoCon

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

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