N-[3-(azepan-1-yl)propyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
N-[3-(azepan-1-yl)propyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C179-0945 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C25 H34 N6 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.368 |
| logD: | 0.7394 |
| logSw: | -3.5859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | DNRPKZXROMOATB-UHFFFAOYSA-N |