N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2082 |
| Compound Name: | N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H30 F N5 O3 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(NCCN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7939 |
| logD: | 0.74 |
| logSw: | -2.2399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.249 |
| InChI Key: | JDGMGNRCTORTGX-UHFFFAOYSA-N |