N-[2-(3,4-dimethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0243 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 437.49 |
| Molecular Formula: | C24 H27 N3 O5 |
| Smiles: | COc1ccc(CCNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.2631 |
| logD: | 0.2631 |
| logSw: | -2.3066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.568 |
| InChI Key: | GUXWLYLHRUBMQZ-UHFFFAOYSA-N |