N-[2-(3-methylphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3-methylphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[2-(3-methylphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2089 |
| Compound Name: | N-[2-(3-methylphenyl)ethyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | Cc1cccc(CCNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.3367 |
| logD: | 1.3367 |
| logSw: | -2.2656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.307 |
| InChI Key: | YOGXUKYSBOLFEJ-UHFFFAOYSA-N |