N-[3-(4-methylpiperazin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[3-(4-methylpiperazin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0284 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Smiles: | CN1CCN(CCCNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | -1.0787 |
| logD: | -2.2832 |
| logSw: | -2.1157 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.766 |
| InChI Key: | YMADYMPOCXTUFR-UHFFFAOYSA-N |