2-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxo-1-phenylethyl acetate
Chemical Structure Depiction of
2-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxo-1-phenylethyl acetate
2-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxo-1-phenylethyl acetate
Compound characteristics
| Compound ID: | V011-2368 |
| Compound Name: | 2-[1-(2-chloro-6-fluorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-2-oxo-1-phenylethyl acetate |
| Molecular Weight: | 497.95 |
| Molecular Formula: | C27 H25 Cl F N O5 |
| Smiles: | CC(=O)OC(C(N1CCc2cc(c(cc2C1c1c(cccc1[Cl])F)OC)OC)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5175 |
| logD: | 4.5175 |
| logSw: | -4.7028 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.629 |
| InChI Key: | QPDLVYYWTMDWBD-UHFFFAOYSA-N |