N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[4-(trifluoromethyl)phenyl]glycinamide
Chemical Structure Depiction of
N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[4-(trifluoromethyl)phenyl]glycinamide
N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[4-(trifluoromethyl)phenyl]glycinamide
Compound characteristics
Compound ID: | C168-0036 |
Compound Name: | N~2~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-[4-(trifluoromethyl)phenyl]glycinamide |
Molecular Weight: | 403.36 |
Molecular Formula: | C20 H16 F3 N3 O3 |
Smiles: | C(C(Nc1ccc(cc1)C(F)(F)F)=O)NC(CN1C=Cc2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.85 |
logD: | 2.85 |
logSw: | -3.6763 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 63.302 |
InChI Key: | VRCGQUPXRKWSMP-UHFFFAOYSA-N |