2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | K784-2024 |
| Compound Name: | 2-{[5-(2-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-ethylphenyl)acetamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CCc1ccccc1NC(CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5936 |
| logD: | 3.5924 |
| logSw: | -3.7723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.577 |
| InChI Key: | BTRAYQTURZAJCA-UHFFFAOYSA-N |