ethyl 4-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
ethyl 4-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F236-0064 |
| Compound Name: | ethyl 4-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C19 H19 N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C=Nc2c(cnc(n2)SCC)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7671 |
| logD: | 2.767 |
| logSw: | -3.1385 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.633 |
| InChI Key: | BIQHJNKBQSPVMD-UHFFFAOYSA-N |