4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid
4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 5593-0355 |
| Compound Name: | 4-(2,5-dioxo-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}pyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 447.41 |
| Molecular Formula: | C22 H20 F3 N3 O4 |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)C(O)=O)=O)N1CCN(CC1)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5058 |
| logD: | 0.1106 |
| logSw: | -2.6014 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.656 |
| InChI Key: | AWDFOJFFZDKVDA-SFHVURJKSA-N |