N-[2-(azepan-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-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-[(2-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-[(2-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C179-0049 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-({5,7-dimethyl-6-[(2-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: | Cc1ccccc1Cc1c(C)nc2nc(nn2c1C)SCC(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9765 |
| logD: | 2.6833 |
| logSw: | -3.9075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | YATXFRSYZXFEBT-UHFFFAOYSA-N |