1-{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
Chemical Structure Depiction of
1-{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
1-{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one
Compound characteristics
| Compound ID: | K407-0273 |
| Compound Name: | 1-{1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}butan-1-one |
| Molecular Weight: | 397.51 |
| Molecular Formula: | C24 H31 N O4 |
| Smiles: | CCCC(N1CCc2cc(c(cc2C1COc1ccc(CC)cc1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7433 |
| logD: | 4.7433 |
| logSw: | -4.3774 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.318 |
| InChI Key: | CBFOSOFPDSJUSG-NRFANRHFSA-N |