ethyl (2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Chemical Structure Depiction of
ethyl (2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
ethyl (2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
Compound characteristics
| Compound ID: | E730-1576 |
| Compound Name: | ethyl (2-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate |
| Molecular Weight: | 456.49 |
| Molecular Formula: | C24 H28 N2 O7 |
| Smiles: | CCOC(CC1c2cc(c(cc2CCN1CC(Nc1ccc2c(c1)OCO2)=O)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.58 |
| logD: | 2.5576 |
| logSw: | -3.0441 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.02 |
| InChI Key: | KPXKDXSHXDMBAD-SFHVURJKSA-N |