2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | J037-0195 |
| Compound Name: | 2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-1-(2,3-dihydro-1H-indol-1-yl)ethan-1-one |
| Molecular Weight: | 495.66 |
| Molecular Formula: | C26 H29 N3 O3 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)SCC(N1CCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.357 |
| logD: | 5.357 |
| logSw: | -5.2373 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 55.124 |
| InChI Key: | WPVYZNAELPPZOI-UHFFFAOYSA-N |