2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K898-1168 |
| Compound Name: | 2-{[5-(3-chlorophenyl)-4-imino-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C22 H21 Cl N6 O3 S |
| Smiles: | Cc1c2C(=N)N(C(=Nc2[nH]n1)SCC(Nc1ccc(cc1OC)OC)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1283 |
| logD: | -0.863 |
| logSw: | -3.9498 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.394 |
| InChI Key: | WKUPNPISGCUBJL-UHFFFAOYSA-N |