2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C099-0680 |
| Compound Name: | 2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 540.5 |
| Molecular Formula: | C20 H15 F3 N6 O5 S2 |
| Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)F)=O)SC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6616 |
| logD: | 2.5986 |
| logSw: | -3.4896 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.141 |
| InChI Key: | VWAKSQKHAGNDDA-UHFFFAOYSA-N |