2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | F248-0042 |
Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyphenyl)acetamide |
Molecular Weight: | 375.4 |
Molecular Formula: | C16 H17 N5 O4 S |
Smiles: | COc1ccccc1NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.494 |
logD: | 0.463 |
logSw: | -2.2333 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 95.303 |
InChI Key: | HNRSLRDUFDHSDT-UHFFFAOYSA-N |