2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | J037-0185 |
| Compound Name: | 2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)SCC(Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2403 |
| logD: | 5.2403 |
| logSw: | -5.0353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.394 |
| InChI Key: | XIRPLYNMXCBLBH-UHFFFAOYSA-N |