ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G873-0024 |
| Compound Name: | ethyl 2-{2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1NC(c2cnn(c3ccccc3)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2564 |
| logD: | 3.1935 |
| logSw: | -3.5781 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.657 |
| InChI Key: | WTKUHGTUCVVJGQ-UHFFFAOYSA-N |