2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y031-2706 |
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)oxy]-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethan-1-one |
| Molecular Weight: | 311.34 |
| Molecular Formula: | C18 H17 N O4 |
| Smiles: | C1CN(Cc2ccccc12)C(COc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5764 |
| logD: | 2.5764 |
| logSw: | -2.8192 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.636 |
| InChI Key: | XUCZXWDLDMKCIT-UHFFFAOYSA-N |