dimethyl 5-(2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-(2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
dimethyl 5-(2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K643-0557 |
| Compound Name: | dimethyl 5-(2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate |
| Molecular Weight: | 507.52 |
| Molecular Formula: | C24 H21 N5 O6 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1cc(cc(c1)C(=O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5226 |
| logD: | 3.5213 |
| logSw: | -3.6828 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.623 |
| InChI Key: | CRZGMVBAHXLLEJ-UHFFFAOYSA-N |