N-{2-[butyl(ethyl)amino]ethyl}-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
N-{2-[butyl(ethyl)amino]ethyl}-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | C168-0127 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CCCCN(CC)CCNC(CNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6768 |
| logD: | 0.0725 |
| logSw: | -2.6056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.402 |
| InChI Key: | ZIDWCGFMGRGCGI-UHFFFAOYSA-N |