6-(azepane-1-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-5791 |
| Compound Name: | 6-(azepane-1-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8063 |
| logD: | 3.8062 |
| logSw: | -3.9467 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.014 |
| InChI Key: | ITCCMNXMBCGPQD-UHFFFAOYSA-N |