benzyl [1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
benzyl [1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
benzyl [1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | C801-0453 |
| Compound Name: | benzyl [1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetate |
| Molecular Weight: | 378.36 |
| Molecular Formula: | C20 H15 F N4 O3 |
| Smiles: | C(C(=O)OCc1ccccc1)N1C=Nc2c(cnn2c2ccc(cc2)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.0879 |
| logD: | 3.0879 |
| logSw: | -3.2721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.824 |
| InChI Key: | PLKYPPSBOTYYFJ-UHFFFAOYSA-N |