2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | 4676-0548 |
| Compound Name: | 2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid |
| Molecular Weight: | 395.35 |
| Molecular Formula: | C18 H12 F3 N O4 S |
| Smiles: | C1C(C(N(C1=O)c1cccc(c1)C(F)(F)F)=O)Sc1ccccc1C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0597 |
| logD: | 0.4483 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.566 |
| InChI Key: | UIAHBWHJZBKBPH-AWEZNQCLSA-N |