N-[(2-ethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[(2-ethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2054 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C23 H25 N3 O4 |
| Smiles: | CCOc1ccccc1CNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5807 |
| logD: | 1.5807 |
| logSw: | -2.5006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.676 |
| InChI Key: | WLTVXPOFMBZKIC-UHFFFAOYSA-N |