6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2738 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[3-(butylsulfanyl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 519.73 |
| Molecular Formula: | C26 H37 N3 O4 S2 |
| Smiles: | CCCCSCCCNC(C1=CN(CC=C)c2ccc(cc2C1=O)S(N1CCCCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0889 |
| logD: | 4.0889 |
| logSw: | -4.1196 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.381 |
| InChI Key: | IQBRKMGFNOFSSQ-UHFFFAOYSA-N |