N-(2,4-dimethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2,4-dimethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C099-0741 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 516.55 |
| Molecular Formula: | C21 H20 N6 O6 S2 |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2156 |
| logD: | 1.1526 |
| logSw: | -2.4623 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 136.68 |
| InChI Key: | DOBSYMVSDJDEFT-UHFFFAOYSA-N |