2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | C121-0145 |
Compound Name: | 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 445.59 |
Molecular Formula: | C25 H27 N5 O S |
Smiles: | Cc1ccc(CNC(CSc2nc3nc(C)c(Cc4cccc(C)c4)c(C)n3n2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.844 |
logD: | 4.8439 |
logSw: | -4.7157 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.026 |
InChI Key: | OCIJKXLKXISFEA-UHFFFAOYSA-N |