1-ethyl-6-fluoro-7-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-7-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-7-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0064 |
| Compound Name: | 1-ethyl-6-fluoro-7-{4-[(naphthalen-1-yl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C27 H25 F N4 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1cccc2ccccc12)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2421 |
| logD: | 1.0559 |
| logSw: | -3.4989 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.855 |
| InChI Key: | HUYBAIPVPMSTIX-UHFFFAOYSA-N |