dimethyl 5-{2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
dimethyl 5-{2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | K643-0203 |
| Compound Name: | dimethyl 5-{2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzene-1,3-dicarboxylate |
| Molecular Weight: | 493.5 |
| Molecular Formula: | C23 H19 N5 O6 S |
| Smiles: | COC(c1cc(cc(c1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9729 |
| logD: | 2.9716 |
| logSw: | -3.4491 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.924 |
| InChI Key: | NBMYOFCPVJCITP-UHFFFAOYSA-N |