2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | J037-0178 |
| Compound Name: | 2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 487.61 |
| Molecular Formula: | C24 H26 F N3 O3 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)SCC(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.287 |
| logD: | 5.2869 |
| logSw: | -5.2764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.85 |
| InChI Key: | GZZQZJOSGQWQAN-UHFFFAOYSA-N |