N-(2,4-dimethoxyphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5425 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C22 H21 N5 O4 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(c[nH]n2)C1=O)SCC(Nc1ccc(cc1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9228 |
| logD: | 2.9228 |
| logSw: | -3.514 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.751 |
| InChI Key: | HLFJVKWXPGKQJO-UHFFFAOYSA-N |