1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 8014-9448 |
| Compound Name: | 1-ethyl-6-fluoro-7-[4-(methylcarbamothioyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 392.45 |
| Molecular Formula: | C18 H21 F N4 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4482 |
| logD: | -1.738 |
| logSw: | -2.1365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.569 |
| InChI Key: | OASKTZHQKRPDKQ-UHFFFAOYSA-N |