N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1-(2-hydroxyethyl)-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-{[1-(2-hydroxyethyl)-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-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0051 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C17 H17 N5 O5 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2865 |
| logD: | -0.3176 |
| logSw: | -2.3256 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.193 |
| InChI Key: | VJUQHTNSRGAVQE-UHFFFAOYSA-N |