N-[2-(3,4-diethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[2-(3,4-diethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0334 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C26 H31 N3 O5 |
| Smiles: | CCOc1ccc(CCNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 0.7544 |
| logD: | 0.7544 |
| logSw: | -2.4115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.728 |
| InChI Key: | XPRSAMQTQFDQPT-UHFFFAOYSA-N |