2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)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-[2-(trifluoromethyl)phenyl]acetamide
2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C099-0726 |
| Compound Name: | 2-{[4-oxo-1-(4-sulfamoylphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 524.5 |
| Molecular Formula: | C20 H15 F3 N6 O4 S2 |
| Smiles: | C(C(Nc1ccccc1C(F)(F)F)=O)SC1NC(c2cnn(c3ccc(cc3)S(N)(=O)=O)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.986 |
| logD: | 1.923 |
| logSw: | -2.7542 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 121.506 |
| InChI Key: | BESDJYXWZUXVIW-UHFFFAOYSA-N |