N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0081 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-6-(dimethylsulfamoyl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 448.58 |
| Molecular Formula: | C22 H32 N4 O4 S |
| Smiles: | CN1C=C(C(c2cc(ccc12)S(N(C)C)(=O)=O)=O)C(NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2994 |
| logD: | -1.2713 |
| logSw: | -2.6812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.781 |
| InChI Key: | JKSPWZKIDUEJIE-UHFFFAOYSA-N |