7-(4-{[3-(benzyloxy)benzoyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[3-(benzyloxy)benzoyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[3-(benzyloxy)benzoyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0081 |
| Compound Name: | 7-(4-{[3-(benzyloxy)benzoyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 588.66 |
| Molecular Formula: | C31 H29 F N4 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(NC(c1cccc(c1)OCc1ccccc1)=O)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1881 |
| logD: | 1.0018 |
| logSw: | -3.7342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.231 |
| InChI Key: | CTFKAGQKZGNDNV-UHFFFAOYSA-N |