N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | C168-0078 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | COc1ccc(CCNC(CNC(CN2C=Cc3ccccc3C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.0911 |
| logD: | 1.0911 |
| logSw: | -2.4231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.727 |
| InChI Key: | KMTCXZFBHNBYCU-UHFFFAOYSA-N |