2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C365-0256 |
| Compound Name: | 2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C22 H18 F3 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc(cc1)OC(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4285 |
| logD: | 5.3655 |
| logSw: | -5.2666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.538 |
| InChI Key: | VHWBLXYTNUQPFY-UHFFFAOYSA-N |