2-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
2-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | K407-0228 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-{1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}ethan-1-one |
| Molecular Weight: | 495.55 |
| Molecular Formula: | C28 H30 F N O6 |
| Smiles: | COc1ccc(CC(N2CCc3cc(c(cc3C2COc2ccc(cc2)F)OC)OC)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9032 |
| logD: | 3.9032 |
| logSw: | -4.0288 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.307 |
| InChI Key: | CIPDQXVDEMURQE-QHCPKHFHSA-N |