N-[(2,4-dimethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[(2,4-dimethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2090 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | COc1ccc(CNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 1.1909 |
| logD: | 1.1909 |
| logSw: | -2.4024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.64 |
| InChI Key: | LMAZLMNHDMBSIJ-UHFFFAOYSA-N |