[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl](3-nitrophenyl)methanone
[6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | K407-0647 |
| Compound Name: | [6,7-dimethoxy-1-{[3-(trifluoromethyl)phenoxy]methyl}-3,4-dihydroisoquinolin-2(1H)-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 516.47 |
| Molecular Formula: | C26 H23 F3 N2 O6 |
| Smiles: | COc1cc2CCN(C(COc3cccc(c3)C(F)(F)F)c2cc1OC)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8579 |
| logD: | 4.8579 |
| logSw: | -4.6908 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.955 |
| InChI Key: | CKWCAZOZIKLENW-QFIPXVFZSA-N |