1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | 8011-6489 |
| Compound Name: | 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 450.35 |
| Molecular Formula: | C22 H25 Br F N O3 |
| Smiles: | CC(C)CC(N1CCc2cc(c(cc2C1c1cc(ccc1F)[Br])OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0642 |
| logD: | 5.0642 |
| logSw: | -4.7378 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | CTVYKJDUDDRTPJ-QFIPXVFZSA-N |