2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)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-methoxyethyl)acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)acetamide
Compound characteristics
| Compound ID: | F248-0136 |
| Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(2-methoxyethyl)acetamide |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C12 H17 N5 O4 S |
| Smiles: | COCCNC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.2437 |
| logD: | -1.2748 |
| logSw: | -1.6839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.148 |
| InChI Key: | UKIHCQIGIUOMAO-UHFFFAOYSA-N |