7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0061 |
| Compound Name: | 7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C23 H22 Cl F N4 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1ccccc1[Cl])=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7239 |
| logD: | 0.5376 |
| logSw: | -3.464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.127 |
| InChI Key: | YMZMVKGMUVFYQD-UHFFFAOYSA-N |