2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | K643-0563 |
| Compound Name: | 2-{[5-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 459.45 |
| Molecular Formula: | C21 H16 F3 N5 O2 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9064 |
| logD: | 3.9052 |
| logSw: | -3.9093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.275 |
| InChI Key: | QTKRPTRSFGEKCE-UHFFFAOYSA-N |