1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3,5,5-trimethylhexan-1-one
Chemical Structure Depiction of
1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3,5,5-trimethylhexan-1-one
1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3,5,5-trimethylhexan-1-one
Compound characteristics
| Compound ID: | V008-8134 |
| Compound Name: | 1-[1-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl]-3,5,5-trimethylhexan-1-one |
| Molecular Weight: | 444.01 |
| Molecular Formula: | C26 H34 Cl N O3 |
| Smiles: | CC(CC(N1CCc2cc(c(cc2C1c1ccccc1[Cl])OC)OC)=O)CC(C)(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0583 |
| logD: | 6.0583 |
| logSw: | -6.044 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.8663 |
| InChI Key: | HSFQXAOTZDCGBN-UHFFFAOYSA-N |