N-[2-(4-chlorophenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[2-(4-chlorophenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | K788-0984 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-6-{[3-(methylsulfanyl)phenyl]sulfamoyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 528.05 |
| Molecular Formula: | C25 H22 Cl N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)C(C(=CN2)C(NCCc1ccc(cc1)[Cl])=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1172 |
| logD: | 3.0562 |
| logSw: | -4.6041 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.262 |
| InChI Key: | KKYCALPJHJMINP-UHFFFAOYSA-N |