1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0056 |
| Compound Name: | 1-ethyl-6-fluoro-4-oxo-7-[4-(phenylcarbamothioyl)piperazin-1-yl]-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C23 H23 F N4 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1ccccc1)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1377 |
| logD: | -0.0485 |
| logSw: | -3.1607 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.825 |
| InChI Key: | KPOSUSCFOQNLEN-UHFFFAOYSA-N |