N-{3-[butyl(ethyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{3-[butyl(ethyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2073 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C23 H34 N4 O3 |
| Smiles: | CCCCN(CC)CCCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.972 |
| logD: | -1.7785 |
| logSw: | -2.439 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.243 |
| InChI Key: | WZPGIBOMXNOHEQ-UHFFFAOYSA-N |