1-ethyl-6-fluoro-7-{4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
1-ethyl-6-fluoro-7-{4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
1-ethyl-6-fluoro-7-{4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0053 |
| Compound Name: | 1-ethyl-6-fluoro-7-{4-[(3-methylbenzoyl)carbamothioyl]piperazin-1-yl}-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(NC(c1cccc(C)c1)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0641 |
| logD: | -0.1221 |
| logSw: | -2.9068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.003 |
| InChI Key: | PYRGAQAVLCGCTA-UHFFFAOYSA-N |