2-[(4-oxo-1-phenyl-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-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C365-0002 |
| Compound Name: | 2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 461.42 |
| Molecular Formula: | C20 H14 F3 N5 O3 S |
| Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)F)=O)SC1NC(c2cnn(c3ccccc3)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1794 |
| logD: | 4.1165 |
| logSw: | -4.3083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.538 |
| InChI Key: | WETGOPJRKVWTMK-UHFFFAOYSA-N |