1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2,2-diphenylethan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2,2-diphenylethan-1-one
1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2,2-diphenylethan-1-one
Compound characteristics
| Compound ID: | V012-0235 |
| Compound Name: | 1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2,2-diphenylethan-1-one |
| Molecular Weight: | 531.58 |
| Molecular Formula: | C32 H28 F3 N O3 |
| Smiles: | COc1cc2CCN(C(c3cccc(c3)C(F)(F)F)c2cc1OC)C(C(c1ccccc1)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7248 |
| logD: | 6.7248 |
| logSw: | -5.8692 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8505 |
| InChI Key: | LPJGHRIBJGDUEX-PMERELPUSA-N |