2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K643-0122 |
| Compound Name: | 2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 489.91 |
| Molecular Formula: | C21 H17 Cl F N5 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7353 |
| logD: | 2.7341 |
| logSw: | -3.557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.837 |
| InChI Key: | QMNNRSRALRWOBL-UHFFFAOYSA-N |