methyl 2-{2-[7-(4-methoxyphenyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-(4-methoxyphenyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
methyl 2-{2-[7-(4-methoxyphenyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M044-1385 |
| Compound Name: | methyl 2-{2-[7-(4-methoxyphenyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C23 H19 N5 O5 |
| Smiles: | COC(c1ccccc1NC(CN1C=Nc2c(cnc(c3ccc(cc3)OC)n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5875 |
| logD: | 2.5774 |
| logSw: | -3.1109 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.905 |
| InChI Key: | HRJSDIVXGQOUMC-UHFFFAOYSA-N |