N-(2H-1,3-benzodioxol-5-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-(2H-1,3-benzodioxol-5-yl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | F248-0050 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 389.39 |
Molecular Formula: | C16 H15 N5 O5 S |
Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.574 |
logD: | 0.543 |
logSw: | -2.3901 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 105.486 |
InChI Key: | ZVHHYJKUZYYYBC-UHFFFAOYSA-N |