7-(4-{[4-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[4-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[4-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0073 |
| Compound Name: | 7-(4-{[4-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C26 H27 F N4 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1ccc(cc1)C(=O)OCC)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9308 |
| logD: | 0.7446 |
| logSw: | -3.5662 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.578 |
| InChI Key: | WLVKZOBEDLNYTB-UHFFFAOYSA-N |