N-[(3-methoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[(3-methoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2092 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | COc1cccc(CNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.0686 |
| logD: | 1.0686 |
| logSw: | -2.3281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.009 |
| InChI Key: | UKLLEJYGXWPPOE-UHFFFAOYSA-N |