1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | K407-0575 |
| Compound Name: | 1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 501.5 |
| Molecular Formula: | C27 H26 F3 N O5 |
| Smiles: | COc1cc2CCN(C(COc3cccc(c3)C(F)(F)F)c2cc1OC)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7633 |
| logD: | 4.7633 |
| logSw: | -4.5192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.545 |
| InChI Key: | PJAOGMIOELJZOU-QHCPKHFHSA-N |