3-(azepane-1-carbonyl)-N-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-N-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydroquinoline-6-sulfonamide
3-(azepane-1-carbonyl)-N-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | K917-0631 |
| Compound Name: | 3-(azepane-1-carbonyl)-N-methyl-4-oxo-N-[4-(propan-2-yl)phenyl]-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)N(C)S(c1ccc2c(c1)C(C(=CN2)C(N1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9759 |
| logD: | 3.4045 |
| logSw: | -4.4765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.158 |
| InChI Key: | HCTPSISOEYDDIN-UHFFFAOYSA-N |