1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)-3,5,5-trimethylhexan-1-one
1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V009-0399 |
| Compound Name: | 1-(6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 409.57 |
| Molecular Formula: | C26 H35 N O3 |
| Smiles: | CC(CC(N1CCc2cc(c(cc2C1c1ccccc1)OC)OC)=O)CC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4853 |
| logD: | 5.4853 |
| logSw: | -5.4304 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | BVLKQJROPNQCCM-UHFFFAOYSA-N |