2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K643-0072 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-fluorophenyl)acetamide |
| Molecular Weight: | 464.3 |
| Molecular Formula: | C19 H12 Cl2 F N5 O2 S |
| Smiles: | C(C(Nc1ccccc1F)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6176 |
| logD: | 3.6163 |
| logSw: | -3.9975 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.577 |
| InChI Key: | HRSBSOGOZAZMBP-UHFFFAOYSA-N |