2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)acetamide
2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K643-0125 |
| Compound Name: | 2-{[5-(3-chloro-4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 519.94 |
| Molecular Formula: | C22 H19 Cl F N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.581 |
| logD: | 2.5797 |
| logSw: | -3.5475 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.554 |
| InChI Key: | QVIBOYNLSNIFJR-UHFFFAOYSA-N |