N-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0289 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 400.52 |
| Molecular Formula: | C22 H32 N4 O3 |
| Smiles: | CCCCN(CC)CCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8489 |
| logD: | -0.97 |
| logSw: | -2.4198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.243 |
| InChI Key: | XPCRNHHOYGPIJK-UHFFFAOYSA-N |