N-(1,3-benzothiazol-2-yl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-2505 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{[1-(3,4-dimethylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C22 H18 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1C)n1c2c(cn1)C(NC(=N2)SCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0069 |
| logD: | 4.944 |
| logSw: | -4.4527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.362 |
| InChI Key: | URDUIVYKLLCNJB-UHFFFAOYSA-N |