6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,4-dihydroquinoline-3-carboxamide
6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-0987 |
| Compound Name: | 6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-N-{3-[(propan-2-yl)oxy]propyl}-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C23 H27 N3 O5 S2 |
| Smiles: | CC(C)OCCCNC(C1=CNc2ccc(cc2C1=O)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7553 |
| logD: | 1.6942 |
| logSw: | -3.51 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.735 |
| InChI Key: | RMYOTHLKNTWZQT-UHFFFAOYSA-N |