1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperidin-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperidin-1-yl)quinolin-4(1H)-one
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperidin-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0417 |
| Compound Name: | 1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperidin-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 484.63 |
| Molecular Formula: | C27 H33 F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCC(C)CC1)F)=O)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6755 |
| logD: | 5.6755 |
| logSw: | -5.4169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.465 |
| InChI Key: | XJVHVSHLQXQTPT-UHFFFAOYSA-N |