benzyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
Chemical Structure Depiction of
benzyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
benzyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | C801-0108 |
| Compound Name: | benzyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C20 H16 N4 O3 |
| Smiles: | C(C(=O)OCc1ccccc1)N1C=Nc2c(cnn2c2ccccc2)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.9372 |
| logD: | 2.9372 |
| logSw: | -3.3406 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.824 |
| InChI Key: | MFSOGUXUPHQSMZ-UHFFFAOYSA-N |