N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2071 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C27 H32 F N5 O3 |
| Smiles: | C(CNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 0.9171 |
| logD: | 0.5858 |
| logSw: | -2.3113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.249 |
| InChI Key: | GXNRJJKXNADNIZ-UHFFFAOYSA-N |