ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
ethyl 2-{2-[4-oxo-7-(pyridin-3-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M044-1214 |
| Compound Name: | ethyl 2-{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(c1ccccc1NC(CN1C=Nc2c(cnc(c3cccnc3)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6681 |
| logD: | 0.667 |
| logSw: | -2.121 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.459 |
| InChI Key: | BLXVHABCXLKQNG-UHFFFAOYSA-N |