N-[2-(azepan-1-yl)ethyl]-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-[2-(azepan-1-yl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
N-[2-(azepan-1-yl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0247 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-({5,7-dimethyl-6-[(4-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C25 H34 N6 O S |
| Smiles: | Cc1ccc(Cc2c(C)nc3nc(nn3c2C)SCC(NCCN2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6682 |
| logD: | 2.375 |
| logSw: | -3.8076 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | ZKXOUAGEOHKPOJ-UHFFFAOYSA-N |