2-{[5-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | K643-0071 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 482.29 |
| Molecular Formula: | C19 H11 Cl2 F2 N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)F)F)=O)SC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.194 |
| logD: | 4.19 |
| logSw: | -4.4748 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.275 |
| InChI Key: | SHQGJPRNEUZPMW-UHFFFAOYSA-N |