1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
Chemical Structure Depiction of
1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one
Compound characteristics
| Compound ID: | K407-0178 |
| Compound Name: | 1-{6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydroisoquinolin-2(1H)-yl}-2-ethylbutan-1-one |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C25 H33 N O5 |
| Smiles: | CCC(CC)C(N1CCc2cc(c(cc2C1COc1ccccc1OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.372 |
| logD: | 4.372 |
| logSw: | -4.2347 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.562 |
| InChI Key: | XWIFLEWXWTUPMC-FQEVSTJZSA-N |