2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | K781-5207 |
| Compound Name: | 2-{[5-(3-chloro-4-methylphenyl)-4-oxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 514 |
| Molecular Formula: | C24 H24 Cl N5 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(c[nH]n2)C1=O)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9775 |
| logD: | 2.9775 |
| logSw: | -3.4986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89 |
| InChI Key: | GDFQLWYNNTZQCK-UHFFFAOYSA-N |