2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | K407-0577 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 545.56 |
| Molecular Formula: | C29 H30 F3 N O6 |
| Smiles: | COc1ccc(CC(N2CCc3cc(c(cc3C2COc2cccc(c2)C(F)(F)F)OC)OC)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6972 |
| logD: | 4.6972 |
| logSw: | -4.5565 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.307 |
| InChI Key: | NEDPDEUYWUEUPM-QHCPKHFHSA-N |