N-(3-cyanophenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(3-cyanophenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2061 |
| Compound Name: | N-(3-cyanophenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C21 H18 N4 O3 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.132 |
| logD: | 1.1318 |
| logSw: | -2.4056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.2 |
| InChI Key: | HOICLBMNBDPGMR-UHFFFAOYSA-N |