7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Chemical Structure Depiction of
7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0065 |
| Compound Name: | 7-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
| Molecular Weight: | 556.97 |
| Molecular Formula: | C24 H21 Cl F4 N4 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cc(c(cc12)N1CCN(CC1)C(Nc1cc(ccc1[Cl])C(F)(F)F)=S)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.898 |
| logD: | 1.7118 |
| logSw: | -4.2089 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.127 |
| InChI Key: | XJNLOLXQKSKUTQ-UHFFFAOYSA-N |