methyl 4-{2-[7-(morpholin-4-yl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[7-(morpholin-4-yl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
methyl 4-{2-[7-(morpholin-4-yl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | L391-0878 |
| Compound Name: | methyl 4-{2-[7-(morpholin-4-yl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 424.41 |
| Molecular Formula: | C20 H20 N6 O5 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Nc2c(cnc(n2)N2CCOCC2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8835 |
| logD: | 0.8834 |
| logSw: | -2.2724 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.619 |
| InChI Key: | HJUVFEJNUIZNCI-UHFFFAOYSA-N |