N-[3-(2-ethylpiperidin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[3-(2-ethylpiperidin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0287 |
| Compound Name: | N-[3-(2-ethylpiperidin-1-yl)propyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 426.56 |
| Molecular Formula: | C24 H34 N4 O3 |
| Smiles: | CCC1CCCCN1CCCNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8302 |
| logD: | -2.0948 |
| logSw: | -2.3522 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.102 |
| InChI Key: | HXLMALUAAHMWRO-FQEVSTJZSA-N |