N-(4-methylphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(4-methylphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C099-0725 |
| Compound Name: | N-(4-methylphenyl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.53 |
| Molecular Formula: | C20 H18 N6 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(CSC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8937 |
| logD: | 1.8308 |
| logSw: | -2.7248 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 122.204 |
| InChI Key: | QJZYLSIPAJFHQV-UHFFFAOYSA-N |