N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9416 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C22 H22 N2 O6 |
| Smiles: | COCCN1C=Cc2c(cccc2OCC(NCc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.7211 |
| logD: | 1.7211 |
| logSw: | -2.4176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.175 |
| InChI Key: | HUFQUEWKESFOCD-UHFFFAOYSA-N |