2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-phenylacetamide
Chemical Structure Depiction of
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-phenylacetamide
2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-phenylacetamide
Compound characteristics
| Compound ID: | J037-0180 |
| Compound Name: | 2-{[6-(azepane-1-sulfonyl)-4-methylquinolin-2-yl]sulfanyl}-N-phenylacetamide |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C24 H27 N3 O3 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)SCC(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0662 |
| logD: | 5.0662 |
| logSw: | -4.6466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.85 |
| InChI Key: | BUNXOJLRNLCQOE-UHFFFAOYSA-N |