2-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
Chemical Structure Depiction of
2-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
2-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid
Compound characteristics
| Compound ID: | K781-5266 |
| Compound Name: | 2-({2-oxo-2-[4-(trifluoromethyl)anilino]ethyl}sulfanyl)benzoic acid |
| Molecular Weight: | 355.33 |
| Molecular Formula: | C16 H12 F3 N O3 S |
| Smiles: | C(C(Nc1ccc(cc1)C(F)(F)F)=O)Sc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.84 |
| logD: | 1.2286 |
| logSw: | -3.9619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.524 |
| InChI Key: | LQWONBVHEQNPTB-UHFFFAOYSA-N |