1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V001-4409 |
| Compound Name: | 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 471.48 |
| Molecular Formula: | C26 H24 F3 N O4 |
| Smiles: | COc1cc2CCN(C(c3cccc(c3)C(F)(F)F)c2cc1OC)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8872 |
| logD: | 4.8872 |
| logSw: | -4.649 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.094 |
| InChI Key: | CAZWPRSIUPPTIQ-VWLOTQADSA-N |