2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K829-0140 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 485.95 |
| Molecular Formula: | C22 H20 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6056 |
| logD: | 3.6044 |
| logSw: | -3.9277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.052 |
| InChI Key: | JQSPKNLROQVMJA-UHFFFAOYSA-N |