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

Formula:C23H20N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide is a drug-like molecule.

MolName	2-[[4-(3-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dimethylphenyl)acetamide
MolecularFormula	C23H20N5OClS
Smiles	Cc1cccc(C)c1NC(CSc1nnc(-c2cnccc2)n1-c1cccc(Cl)c1)=O
InChI	InChI=1S/C23H20ClN5OS/c1-15-6-3-7-16(2)21(15)26-20(30)14-31-23-28-27-22(17-8-5-11-25-13-17)29(23)19-10-4-9-18(24)12-19/h3-13H,14H2,1-2H3,(H,26,30)
InChIK	KMVGIJQUGQBRHB-UHFFFAOYSA-N
TotalMolweight	449.965
Molweight	449.965
MonoisotopicMass	449.107707
CLogP	4.4302
CLogS	-8.452
H Acceptors	6
H Donors	1
TotalSurfaceArea	338.42
Relative PSA	0.24162
PolarSurfaceArea	98
Druglikeness	3.227
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	4
StereoCon

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

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