N-[(4-methylphenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-[(4-methylphenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9378 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C22 H22 N2 O3 |
| Smiles: | Cc1ccc(CNC(COc2cccc3C(N(CC=C)C=Cc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8348 |
| logD: | 2.8348 |
| logSw: | -3.4172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.717 |
| InChI Key: | JRFXVGDDWBMPNR-UHFFFAOYSA-N |