1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-chloroethan-1-one
Chemical Structure Depiction of
1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-chloroethan-1-one
1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-chloroethan-1-one
Compound characteristics
| Compound ID: | 8012-0014 |
| Compound Name: | 1-[1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-chloroethan-1-one |
| Molecular Weight: | 442.71 |
| Molecular Formula: | C19 H18 Br Cl F N O3 |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1cc(ccc1F)[Br])C(C[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8954 |
| logD: | 3.8954 |
| logSw: | -4.0107 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | NWOYVUWTTVJPLW-IBGZPJMESA-N |