N-[3-(methylsulfanyl)phenyl]-4-oxo-3-(piperidine-1-carbonyl)-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-4-oxo-3-(piperidine-1-carbonyl)-1,4-dihydroquinoline-6-sulfonamide
N-[3-(methylsulfanyl)phenyl]-4-oxo-3-(piperidine-1-carbonyl)-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | C385-0716 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-4-oxo-3-(piperidine-1-carbonyl)-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)C(C(=CN2)C(N1CCCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.23 |
| logD: | 1.6587 |
| logSw: | -3.754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.656 |
| InChI Key: | JVSZEKFYQYWKLN-UHFFFAOYSA-N |