2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F248-0139 |
| Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N,N-di(propan-2-yl)acetamide |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C15 H23 N5 O3 S |
| Smiles: | CC(C)N(C(C)C)C(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5484 |
| logD: | 0.5173 |
| logSw: | -2.1504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.043 |
| InChI Key: | GYNYNTBSBAIQHH-UHFFFAOYSA-N |