methyl 4'-methoxy-3-oxo-5-[3-(trifluoromethyl)anilino]-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Chemical Structure Depiction of
methyl 4'-methoxy-3-oxo-5-[3-(trifluoromethyl)anilino]-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
methyl 4'-methoxy-3-oxo-5-[3-(trifluoromethyl)anilino]-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate
Compound characteristics
| Compound ID: | 8014-9744 |
| Compound Name: | methyl 4'-methoxy-3-oxo-5-[3-(trifluoromethyl)anilino]-1,2,3,6-tetrahydro[1,1'-biphenyl]-2-carboxylate |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C22 H20 F3 N O4 |
| Smiles: | COC(C1C(CC(=CC1=O)Nc1cccc(c1)C(F)(F)F)c1ccc(cc1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7298 |
| logD: | 4.2439 |
| logSw: | -4.4943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.61 |
| InChI Key: | HWJJOBKUNHIIFR-UHFFFAOYSA-N |