6-(azepane-1-sulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C208-0039 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[(4-methylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | Cc1ccc(CNC(C2=CC(Nc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4277 |
| logD: | 3.3856 |
| logSw: | -3.7882 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.515 |
| InChI Key: | JUKUOLFTOZYVQF-UHFFFAOYSA-N |