N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-1599 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 505.62 |
| Molecular Formula: | C28 H35 N5 O4 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(CCNC(CN2C=Cc3ccccc3C2=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.8425 |
| logD: | 0.2564 |
| logSw: | -2.2606 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.094 |
| InChI Key: | NCRLTNSWJJFVMZ-UHFFFAOYSA-N |