ethyl 4-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
ethyl 4-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M044-1172 |
| Compound Name: | ethyl 4-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C22 H18 N6 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C=Nc2c(cnc(c3cccnc3)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0013 |
| logD: | 1.0002 |
| logSw: | -2.3619 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.157 |
| InChI Key: | GIEALYVUVRAARP-UHFFFAOYSA-N |