N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-0986 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 553.66 |
| Molecular Formula: | C27 H27 N3 O6 S2 |
| Smiles: | COc1ccc(CCNC(C2=CNc3ccc(cc3C2=O)S(Nc2cccc(c2)SC)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0396 |
| logD: | 1.9786 |
| logSw: | -3.6648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.523 |
| InChI Key: | QQQIELRDWSFDPK-UHFFFAOYSA-N |