3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Chemical Structure Depiction of
3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Compound characteristics
| Compound ID: | 1622-0333 |
| Compound Name: | 3-[(3,5-dimethylphenyl)methyl]-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid |
| Molecular Weight: | 379.38 |
| Molecular Formula: | C20 H20 F3 N O3 |
| Smiles: | Cc1cc(C)cc(CC(CC(O)=O)C(Nc2cccc(c2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4536 |
| logD: | 1.8075 |
| logSw: | -4.2861 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.714 |
| InChI Key: | LAUQDWZVZQQKMK-OAHLLOKOSA-N |