benzyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
benzyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F248-0118 |
| Compound Name: | benzyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(=O)OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2215 |
| logD: | 1.1905 |
| logSw: | -2.2017 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.755 |
| InChI Key: | MXTHBNYTRIWJAY-UHFFFAOYSA-N |