N-[3-(azepan-1-yl)propyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[3-(azepan-1-yl)propyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0243 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 480.68 |
| Molecular Formula: | C26 H36 N6 O S |
| Smiles: | Cc1ccc(Cc2c(C)nc3nc(nn3c2C)SCC(NCCCN2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7914 |
| logD: | 1.1628 |
| logSw: | -3.8454 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | VRWLPPKQGLXEIW-UHFFFAOYSA-N |