N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]-beta-alaninamide
N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C046-0308 |
| Compound Name: | N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 418.37 |
| Molecular Formula: | C20 H17 F3 N4 O3 |
| Smiles: | C(CNC(CN1C=Nc2ccccc2C1=O)=O)C(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0579 |
| logD: | 1.0579 |
| logSw: | -2.4441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.103 |
| InChI Key: | PBEASKMMDKRBCP-UHFFFAOYSA-N |