N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)glycinamide
Chemical Structure Depiction of
N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)glycinamide
N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)glycinamide
Compound characteristics
| Compound ID: | C168-0033 |
| Compound Name: | N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)glycinamide |
| Molecular Weight: | 425.44 |
| Molecular Formula: | C22 H23 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3578 |
| logD: | 1.3574 |
| logSw: | -2.5276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.28 |
| InChI Key: | HELDCWURHCKCES-UHFFFAOYSA-N |