2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(naphthalen-1-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-(naphthalen-1-yl)acetamide
2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | F248-0028 |
| Compound Name: | 2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | C(CO)n1c2c(cn1)C(NC(=N2)SCC(Nc1cccc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.31 |
| logD: | 1.2789 |
| logSw: | -2.6093 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.401 |
| InChI Key: | LINMZZXTEOENQL-UHFFFAOYSA-N |