1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}pentan-1-one
Chemical Structure Depiction of
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}pentan-1-one
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}pentan-1-one
Compound characteristics
| Compound ID: | K407-0427 |
| Compound Name: | 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}pentan-1-one |
| Molecular Weight: | 411.54 |
| Molecular Formula: | C25 H33 N O4 |
| Smiles: | CCCCC(N1CCc2cc(c(cc2C1COc1cc(C)cc(C)c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9973 |
| logD: | 4.9973 |
| logSw: | -4.5206 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.318 |
| InChI Key: | BGWCGZMCFUGSEZ-QFIPXVFZSA-N |