N-[3-(azepan-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[3-(azepan-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0285 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C23 H32 N4 O3 |
| Smiles: | C1CCCN(CC1)CCCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6109 |
| logD: | -2.0177 |
| logSw: | -2.1051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.621 |
| InChI Key: | HSRXPIHJUMSCIH-UHFFFAOYSA-N |