7-(azepan-1-yl)-1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
7-(azepan-1-yl)-1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
7-(azepan-1-yl)-1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0127 |
| Compound Name: | 7-(azepan-1-yl)-1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H31 F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCCCCC1)F)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.54 |
| logD: | 5.54 |
| logSw: | -5.4307 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.796 |
| InChI Key: | GXDDSMCBESIPHL-UHFFFAOYSA-N |