1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2,2,2-trifluoroethan-1-one
Chemical Structure Depiction of
1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2,2,2-trifluoroethan-1-one
1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2,2,2-trifluoroethan-1-one
Compound characteristics
| Compound ID: | 8016-4276 |
| Compound Name: | 1-{1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2,2,2-trifluoroethan-1-one |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C26 H32 F3 N O5 |
| Smiles: | CCOc1ccc(CC2c3cc(c(cc3CCN2C(C(F)(F)F)=O)OCC)OCC)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1136 |
| logD: | 4.1136 |
| logSw: | -4.1353 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.926 |
| InChI Key: | ATMAXLRHQMILJJ-FQEVSTJZSA-N |