N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(4-phenoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(4-phenoxyphenyl)-beta-alaninamide
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(4-phenoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0191 |
| Compound Name: | N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(4-phenoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C26 H23 N3 O4 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(Nc1ccc(cc1)Oc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9612 |
| logD: | 2.9612 |
| logSw: | -3.7597 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.891 |
| InChI Key: | JZPNVRZBCBWVSL-UHFFFAOYSA-N |