N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | C099-0735 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 500.51 |
Molecular Formula: | C20 H16 N6 O6 S2 |
Smiles: | C1Oc2ccc(cc2O1)NC(CSC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3035 |
logD: | 1.2405 |
logSw: | -2.4298 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 139.32 |
InChI Key: | SEUYRKGTELVOPG-UHFFFAOYSA-N |