N-[(4-methylphenyl)methyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(4-methylphenyl)methyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-0985 |
| Compound Name: | N-[(4-methylphenyl)methyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C25 H23 N3 O4 S2 |
| Smiles: | Cc1ccc(CNC(C2=CNc3ccc(cc3C2=O)S(Nc2cccc(c2)SC)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0124 |
| logD: | 3.1793 |
| logSw: | -4.1234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.421 |
| InChI Key: | JSVIPJIAJZUYJC-UHFFFAOYSA-N |