2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G873-0124 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 471.92 |
| Molecular Formula: | C21 H18 Cl N5 O4 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3879 |
| logD: | 3.3249 |
| logSw: | -3.9152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.077 |
| InChI Key: | YVGRJDVQXIFDIM-UHFFFAOYSA-N |