ethyl 2-{2-[4-oxo-7-(pyrrolidin-1-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[4-oxo-7-(pyrrolidin-1-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
ethyl 2-{2-[4-oxo-7-(pyrrolidin-1-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L391-0021 |
| Compound Name: | ethyl 2-{2-[4-oxo-7-(pyrrolidin-1-yl)pyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C21 H22 N6 O4 |
| Smiles: | CCOC(c1ccccc1NC(CN1C=Nc2c(cnc(n2)N2CCCC2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8871 |
| logD: | 1.877 |
| logSw: | -2.7297 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.958 |
| InChI Key: | REUDKWQDTNTKOY-UHFFFAOYSA-N |