7-(azepan-1-yl)-1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
7-(azepan-1-yl)-1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
7-(azepan-1-yl)-1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0186 |
| Compound Name: | 7-(azepan-1-yl)-1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 484.63 |
| Molecular Formula: | C27 H33 F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCCCCC1)F)=O)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0058 |
| logD: | 6.0058 |
| logSw: | -5.5209 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.796 |
| InChI Key: | VRGMJOFHCWWUPX-UHFFFAOYSA-N |