4-chloro-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
4-chloro-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
4-chloro-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Compound characteristics
| Compound ID: | K407-0372 |
| Compound Name: | 4-chloro-1-[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one |
| Molecular Weight: | 471.9 |
| Molecular Formula: | C23 H25 Cl F3 N O4 |
| Smiles: | COc1cc2CCN(C(COc3cccc(c3)C(F)(F)F)c2cc1OC)C(CCC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4196 |
| logD: | 4.4196 |
| logSw: | -4.3048 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.318 |
| InChI Key: | WWDSNAOQWOVXEH-IBGZPJMESA-N |