N-(3-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-(3-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0201 |
| Compound Name: | N-(3-methoxyphenyl)-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | COc1cccc(c1)NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3375 |
| logD: | 1.3375 |
| logSw: | -2.4446 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.687 |
| InChI Key: | AZCCNKKFXMZDQR-UHFFFAOYSA-N |