1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl)butane-1,4-dione
1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | S022-1730 |
| Compound Name: | 1-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)-4-(9-oxo-2-phenyl-1,5,6,9-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-7(8H)-yl)butane-1,4-dione |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C27 H24 N6 O4 |
| Smiles: | C1CN(CC2=C1N=C1C=C(c3ccccc3)NN1C2=O)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0674 |
| logD: | 1.0661 |
| logSw: | -2.1307 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.157 |
| InChI Key: | NJGDYXOMYVLLKY-UHFFFAOYSA-N |