2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | K643-0602 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 447.85 |
| Molecular Formula: | C19 H12 Cl F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)F)F)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5569 |
| logD: | 3.5529 |
| logSw: | -4.1243 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.576 |
| InChI Key: | ZWZHTTXCZDZJQC-UHFFFAOYSA-N |