N-[2-(azepan-1-yl)ethyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
N-[2-(azepan-1-yl)ethyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C179-0949 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-2-[(6-benzyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C24 H32 N6 O S |
| Smiles: | Cc1c(Cc2ccccc2)c(C)n2c(n1)nc(n2)SCC(NCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2448 |
| logD: | 1.9516 |
| logSw: | -3.3792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.181 |
| InChI Key: | IIVAFZFKKFCLFD-UHFFFAOYSA-N |