3-(azepane-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
3-(azepane-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | C385-0708 |
| Compound Name: | 3-(azepane-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)C(C(=CN2)C(N1CCCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7259 |
| logD: | 2.1546 |
| logSw: | -3.8934 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.987 |
| InChI Key: | SVAPRBXSBSTFLD-UHFFFAOYSA-N |