methyl 2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate
Chemical Structure Depiction of
methyl 2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate
methyl 2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate
Compound characteristics
| Compound ID: | C365-0030 |
| Compound Name: | methyl 2-[(4-oxo-1-phenyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]butanoate |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | CCC(C(=O)OC)SC1NC(c2cnn(c3ccccc3)c2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9615 |
| logD: | 2.9379 |
| logSw: | -3.5338 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.897 |
| InChI Key: | DUTFCCNJYVVJGB-LBPRGKRZSA-N |