6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-0626 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 493.69 |
| Molecular Formula: | C24 H35 N3 O4 S2 |
| Smiles: | CCCCSCCCNC(C1=CN(C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2223 |
| logD: | 3.2223 |
| logSw: | -3.7984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.118 |
| InChI Key: | ZHVFMXYVMLKODG-UHFFFAOYSA-N |