1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | V011-0817 |
| Compound Name: | 1-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 455.91 |
| Molecular Formula: | C25 H23 Cl F N O4 |
| Smiles: | COc1cc2CCN(C(c2cc1OC)c1c(cccc1[Cl])F)C(COc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3644 |
| logD: | 4.3644 |
| logSw: | -4.4886 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.094 |
| InChI Key: | JJRKSMOVKHPBOJ-VWLOTQADSA-N |