1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]pentan-1-one
Chemical Structure Depiction of
1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]pentan-1-one
1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]pentan-1-one
Compound characteristics
| Compound ID: | K407-0531 |
| Compound Name: | 1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]pentan-1-one |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C24 H28 F3 N O4 |
| Smiles: | CCCCC(N1CCc2cc(c(cc2C1COc1cccc(c1)C(F)(F)F)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9374 |
| logD: | 4.9374 |
| logSw: | -4.635 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.318 |
| InChI Key: | YIPWFJUYBCQVPM-FQEVSTJZSA-N |