7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0067 |
| Compound Name: | 7-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 560.65 |
| Molecular Formula: | C30 H29 F N4 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1ccc(cc1)OCc1ccccc1)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7438 |
| logD: | 1.5575 |
| logSw: | -4.111 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.052 |
| InChI Key: | JDOVWVGHWHKLIC-UHFFFAOYSA-N |