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

Formula:C22H15N6OCl3S Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide is not a drug-like molecule.

MolName	2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
MolecularFormula	C22H15N6OCl3S
Smiles	O=C(CSc1nnc(-c2ccncc2)n1-c(cc1)ccc1Cl)N/N=C\c(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C22H15Cl3N6OS/c23-15-4-6-16(7-5-15)31-21(14-8-10-26-11-9-14)29-30-22(31)33-13-20(32)28-27-12-17-18(24)2-1-3-19(17)25/h1-12H,13H2,(H,28,32)
InChIK	NWGXIJLSFZNKGF-UHFFFAOYSA-N
TotalMolweight	517.827
Molweight	517.827
MonoisotopicMass	516.00936
CLogP	5.3489
CLogS	-9.829
H Acceptors	7
H Donors	1
TotalSurfaceArea	369.5
Relative PSA	0.25245
PolarSurfaceArea	110.36
Druglikeness	5.4489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.51515
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	7
Aromatic Nitrogens	4
StereoCon

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

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