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

Formula:C22H16N6OCl2S Mutagenic:low Tumorigenic:none Reproductive Effective:none 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
MolecularFormula	C22H16N6OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1ncccc1
InChI	InChI=1S/C22H16Cl2N6OS/c23-16-6-4-15(5-7-16)21-28-29-22(30(21)19-10-8-17(24)9-11-19)32-14-20(31)27-26-13-18-3-1-2-12-25-18/h1-13H,14H2,(H,27,31)
InChIK	ATASRXZUEKPBJZ-UHFFFAOYSA-N
TotalMolweight	483.382
Molweight	483.382
MonoisotopicMass	482.048333
CLogP	4.7969
CLogS	-9.117
H Acceptors	7
H Donors	1
TotalSurfaceArea	354.08
Relative PSA	0.26344
PolarSurfaceArea	110.36
Druglikeness	5.4489
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
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-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide

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