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

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

MolName	2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
MolecularFormula	C22H16N6OCl2S
Smiles	O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c(cc1)ccc1Cl)N/N=C\c1ccncc1
InChI	InChI=1S/C22H16Cl2N6OS/c23-17-3-1-16(2-4-17)21-28-29-22(30(21)19-7-5-18(24)6-8-19)32-14-20(31)27-26-13-15-9-11-25-12-10-15/h1-13H,14H2,(H,27,31)
InChIK	XXCIHXMBEONSGK-UHFFFAOYSA-N
TotalMolweight	483.382
Molweight	483.382
MonoisotopicMass	482.048333
CLogP	4.7429
CLogS	-9.093
H Acceptors	7
H Donors	1
TotalSurfaceArea	354.08
Relative PSA	0.26344
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	0.5625
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	6
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-4-ylmethylideneamino]acetamide | 2 - 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide

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