N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0185 |
| Compound Name: | N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 417.39 |
| Molecular Formula: | C21 H18 F3 N3 O3 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3143 |
| logD: | 2.3133 |
| logSw: | -3.2836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.144 |
| InChI Key: | VUMIAOFWORQNKD-UHFFFAOYSA-N |