7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2036 |
| Compound Name: | 7-{4-[(4-acetylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C25 H25 F N4 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1ccc(cc1)C(C)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8715 |
| logD: | -0.3147 |
| logSw: | -2.7654 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.651 |
| InChI Key: | FCDRVJRAQXXOLC-UHFFFAOYSA-N |