1-ethyl-6-fluoro-4-oxo-7-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-4-oxo-7-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-4-oxo-7-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | Y500-4892 |
| Compound Name: | 1-ethyl-6-fluoro-4-oxo-7-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 483.52 |
| Molecular Formula: | C23 H22 F N5 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(c1cccnc1)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.505 |
| logD: | -1.6812 |
| logSw: | -2.0555 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.521 |
| InChI Key: | MVQBZPWHTMOUKJ-UHFFFAOYSA-N |