N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | M044-1252 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 402.37 |
| Molecular Formula: | C20 H14 N6 O4 |
| Smiles: | C(C(Nc1ccc2c(c1)OCO2)=O)N1C=Nc2c(cnc(c3cccnc3)n2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.233 |
| logD: | 0.2319 |
| logSw: | -1.9086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.519 |
| InChI Key: | CMIPFRPLADILLB-UHFFFAOYSA-N |