ethyl 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
ethyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate
ethyl 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: | F248-0059 |
| Compound Name: | ethyl 4-(2-{[1-(2-hydroxyethyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C18 H19 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(c2cnn(CCO)c2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3423 |
| logD: | 1.3113 |
| logSw: | -2.3133 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.124 |
| InChI Key: | YKWVBXNWYCVEDO-UHFFFAOYSA-N |