N-[(furan-2-yl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F248-0070 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
| Molecular Weight: | 349.37 |
| Molecular Formula: | C14 H15 N5 O4 S |
| Smiles: | C(c1ccco1)NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1729 |
| logD: | 0.1418 |
| logSw: | -2.1557 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.441 |
| InChI Key: | XWQSHXKGSDOCOT-UHFFFAOYSA-N |