(2H-1,3-benzodioxol-5-yl)[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]methanone
(2H-1,3-benzodioxol-5-yl)[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]methanone
Compound characteristics
| Compound ID: | K407-0534 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]methanone |
| Molecular Weight: | 515.49 |
| Molecular Formula: | C27 H24 F3 N O6 |
| Smiles: | COc1cc2CCN(C(COc3cccc(c3)C(F)(F)F)c2cc1OC)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8345 |
| logD: | 4.8345 |
| logSw: | -4.6648 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.689 |
| InChI Key: | KEFASRIKLXMDSY-NRFANRHFSA-N |