methyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F248-0060 |
| Compound Name: | methyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C17 H17 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8317 |
| logD: | 0.8006 |
| logSw: | -2.1946 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.544 |
| InChI Key: | TUMHHMKVOIBAGL-UHFFFAOYSA-N |