7-{4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-{4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-{4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8011-9851 |
| Compound Name: | 7-{4-[(2-chlorobenzoyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 516.98 |
| Molecular Formula: | C24 H22 Cl F N4 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(c1ccccc1[Cl])=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1482 |
| logD: | -0.038 |
| logSw: | -3.2088 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.003 |
| InChI Key: | YZVIRISNWADVOU-UHFFFAOYSA-N |