N-(2H-1,3-benzodioxol-5-yl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9365 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | C=CCN1C=Cc2c(cccc2OCC(Nc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.7211 |
| logD: | 2.721 |
| logSw: | -3.4506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.51 |
| InChI Key: | XXIRREQSVYNCSJ-UHFFFAOYSA-N |