N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K781-5631 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 465.49 |
| Molecular Formula: | C22 H19 N5 O5 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5605 |
| logD: | 1.5593 |
| logSw: | -2.54 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.943 |
| InChI Key: | KDNYFMVNFMKKJL-UHFFFAOYSA-N |