2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J037-0181 |
| Compound Name: | 2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 483.65 |
| Molecular Formula: | C25 H29 N3 O3 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1cc(C)c2cc(ccc2n1)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6179 |
| logD: | 5.6179 |
| logSw: | -5.2829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.85 |
| InChI Key: | OZSLBIKLIKAQMW-UHFFFAOYSA-N |