2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethylphenyl)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-dimethylphenyl)acetamide
2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | C365-0144 |
| Compound Name: | 2-{[1-(4-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(CSC1NC(c2cnn(c3ccc(cc3)[Cl])c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7457 |
| logD: | 3.6827 |
| logSw: | -4.2163 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.903 |
| InChI Key: | GSLGJAMAQNQNIT-UHFFFAOYSA-N |