7-(azepan-1-yl)-1-butyl-3-(3-chlorobenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
7-(azepan-1-yl)-1-butyl-3-(3-chlorobenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
7-(azepan-1-yl)-1-butyl-3-(3-chlorobenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0730 |
| Compound Name: | 7-(azepan-1-yl)-1-butyl-3-(3-chlorobenzene-1-sulfonyl)-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 491.02 |
| Molecular Formula: | C25 H28 Cl F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCCCCC1)F)=O)S(c1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5752 |
| logD: | 5.5752 |
| logSw: | -5.7651 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.796 |
| InChI Key: | DUEZZZJFYICARB-UHFFFAOYSA-N |