N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K781-0513 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(4-oxo-5-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | COc1cc(c(cc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.7829 |
| logD: | 2.7791 |
| logSw: | -3.5799 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.139 |
| InChI Key: | JBUPEAXDKQBILE-UHFFFAOYSA-N |