N-[4-(morpholin-4-yl)butyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Chemical Structure Depiction of
N-[4-(morpholin-4-yl)butyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
N-[4-(morpholin-4-yl)butyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C066-2068 |
| Compound Name: | N-[4-(morpholin-4-yl)butyl]-N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-beta-alaninamide |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C22 H30 N4 O4 |
| Smiles: | C(CCN1CCOCC1)CNC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.8051 |
| logD: | -1.8405 |
| logSw: | -2.1114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.198 |
| InChI Key: | BNVOGVGZRCATLK-UHFFFAOYSA-N |