N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y041-2950 |
| Compound Name: | N-[2-(2,3-dioxo-3,4-dihydroquinoxalin-1(2H)-yl)ethyl]-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 354.37 |
| Molecular Formula: | C17 H18 N6 O3 |
| Smiles: | C(CNc1ncccn1)C(NCCN1C(C(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7309 |
| logD: | -0.7635 |
| logSw: | -1.5821 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.507 |
| InChI Key: | YMLNDOZSUFGZPW-UHFFFAOYSA-N |