ethyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
ethyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F248-0112 |
| Compound Name: | ethyl {[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 298.32 |
| Molecular Formula: | C11 H14 N4 O4 S |
| Smiles: | CCOC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0479 |
| logD: | -0.079 |
| logSw: | -2.2314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.651 |
| InChI Key: | YYMNPSBKQZFQKH-UHFFFAOYSA-N |