6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
Chemical Structure Depiction of
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
Compound characteristics
| Compound ID: | Y020-2026 |
| Compound Name: | 6-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-(4,6-dimethylpyrimidin-2-yl)-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C20 H16 N6 O2 S2 |
| Smiles: | Cc1cc(C)nc(n1)N1C(C2=C(NC(CSc3nc4ccccc4s3)=CC2=O)N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0139 |
| logD: | 0.6143 |
| logSw: | -3.2294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.772 |
| InChI Key: | WPWJCMUTOVMQFH-UHFFFAOYSA-N |