N-[(4-fluorophenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
N-[(4-fluorophenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
Compound characteristics
| Compound ID: | G856-9389 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamide |
| Molecular Weight: | 366.39 |
| Molecular Formula: | C21 H19 F N2 O3 |
| Smiles: | C=CCN1C=Cc2c(cccc2OCC(NCc2ccc(cc2)F)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.4405 |
| logD: | 2.4405 |
| logSw: | -2.9436 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.717 |
| InChI Key: | PMLSXQCNBBITGE-UHFFFAOYSA-N |