1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-one
Chemical Structure Depiction of
1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-one
1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-one
Compound characteristics
| Compound ID: | T001-1163 |
| Compound Name: | 1-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)but-2-yn-1-one |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | CC#CC(N1CCc2cc(c(cc2C1C)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0595 |
| logD: | 2.0595 |
| logSw: | -2.181 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.7288 |
| InChI Key: | CZELVBBEHLQOMX-NSHDSACASA-N |