1-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Chemical Structure Depiction of
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one
Compound characteristics
| Compound ID: | D145-2289 |
| Compound Name: | 1-(3,4-dimethoxyphenyl)-6,7-diethoxy-2-[3-(trifluoromethyl)phenyl]-1,4-dihydroisoquinolin-3(2H)-one |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C28 H28 F3 N O5 |
| Smiles: | CCOc1cc2CC(N(C(c3ccc(c(c3)OC)OC)c2cc1OCC)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8071 |
| logD: | 4.8071 |
| logSw: | -4.7419 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.999 |
| InChI Key: | YQFMIQPZLIBADD-MHZLTWQESA-N |