N-butyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-butyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-butyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C385-0704 |
| Compound Name: | N-butyl-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C21 H23 N3 O4 S2 |
| Smiles: | CCCCNC(C1=CNc2ccc(cc2C1=O)S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4015 |
| logD: | 2.3405 |
| logSw: | -3.8748 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.534 |
| InChI Key: | SHKAHKBJFWJBSS-UHFFFAOYSA-N |