3-(4-methylpiperazine-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Chemical Structure Depiction of
3-(4-methylpiperazine-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
3-(4-methylpiperazine-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide
Compound characteristics
| Compound ID: | C385-0713 |
| Compound Name: | 3-(4-methylpiperazine-1-carbonyl)-N-[3-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydroquinoline-6-sulfonamide |
| Molecular Weight: | 472.58 |
| Molecular Formula: | C22 H24 N4 O4 S2 |
| Smiles: | CN1CCN(CC1)C(C1=CNc2ccc(cc2C1=O)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0481 |
| logD: | 0.4767 |
| logSw: | -3.0891 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.132 |
| InChI Key: | ASPCBKKYMXBONH-UHFFFAOYSA-N |