3-(4-ethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(4-ethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
3-(4-ethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0198 |
| Compound Name: | 3-(4-ethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoro-1-methylquinolin-4(1H)-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C24 H28 F N3 O3 S |
| Smiles: | CCc1ccc(cc1)S(C1=CN(C)c2cc(c(cc2C1=O)F)N1CCN(CC)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1791 |
| logD: | 2.7741 |
| logSw: | -3.6672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.738 |
| InChI Key: | XMFGJBTVWRUZST-UHFFFAOYSA-N |