2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K829-0180 |
| Compound Name: | 2-{[5-(4-bromophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 516.37 |
| Molecular Formula: | C21 H18 Br N5 O4 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1847 |
| logD: | 3.1834 |
| logSw: | -3.4701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.052 |
| InChI Key: | LYFAAPNFHPGEBK-UHFFFAOYSA-N |