1-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
1-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | S021-2205 |
| Compound Name: | 1-[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione |
| Molecular Weight: | 530.97 |
| Molecular Formula: | C27 H23 Cl N6 O4 |
| Smiles: | C1CN(CC2=C1C(N1C(C=C(c3ccccc3[Cl])N1)=N2)=O)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.686 |
| logD: | 1.6847 |
| logSw: | -3.1034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.157 |
| InChI Key: | GOOFPLCYUXAQHN-UHFFFAOYSA-N |