methyl 5-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
methyl 5-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | F248-0105 |
| Compound Name: | methyl 5-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)furan-2-carboxylate |
| Molecular Weight: | 350.35 |
| Molecular Formula: | C14 H14 N4 O5 S |
| Smiles: | COC(c1ccc(CSC2NC(c3cnn(CCO)c3N=2)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8004 |
| logD: | 0.7738 |
| logSw: | -2.2375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.236 |
| InChI Key: | IMQZYVRIKGQAGA-UHFFFAOYSA-N |