methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F236-0024 |
| Compound Name: | methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C18 H17 N5 O4 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3ccccc3C(=O)OC)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8902 |
| logD: | 1.8802 |
| logSw: | -2.7366 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.355 |
| InChI Key: | BZOQNAGKGVVPGU-UHFFFAOYSA-N |