2-(benzyloxy)-1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzyloxy)-1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(benzyloxy)-1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V004-4770 |
| Compound Name: | 2-(benzyloxy)-1-{6,7-dimethoxy-1-[3-(trifluoromethyl)phenyl]-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 485.5 |
| Molecular Formula: | C27 H26 F3 N O4 |
| Smiles: | COc1cc2CCN(C(c3cccc(c3)C(F)(F)F)c2cc1OC)C(COCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9631 |
| logD: | 4.9631 |
| logSw: | -4.818 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.029 |
| InChI Key: | MDTXFAQQLXNMMC-SANMLTNESA-N |