1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxypropan-1-one
Chemical Structure Depiction of
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxypropan-1-one
1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxypropan-1-one
Compound characteristics
| Compound ID: | K407-0653 |
| Compound Name: | 1-{1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl}-2-phenoxypropan-1-one |
| Molecular Weight: | 475.59 |
| Molecular Formula: | C29 H33 N O5 |
| Smiles: | CC(C(N1CCc2cc(c(cc2C1COc1cc(C)cc(C)c1)OC)OC)=O)Oc1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2808 |
| logD: | 5.2808 |
| logSw: | -5.1601 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.363 |
| InChI Key: | XXUOAULKVLIEOX-UHFFFAOYSA-N |