methyl 4-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
methyl 4-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | F248-0142 |
| Compound Name: | methyl 4-({[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | COC(c1ccc(CSC2NC(c3cnn(CCO)c3N=2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1562 |
| logD: | 1.1374 |
| logSw: | -2.2166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.395 |
| InChI Key: | WHWVLIPBJQYBLE-UHFFFAOYSA-N |