ethyl {[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
ethyl {[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C099-0316 |
| Compound Name: | ethyl {[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetate |
| Molecular Weight: | 348.35 |
| Molecular Formula: | C15 H13 F N4 O3 S |
| Smiles: | CCOC(CSC1NC(c2cnn(c3ccc(cc3)F)c2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.35 |
| logD: | 2.287 |
| logSw: | -2.9117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.882 |
| InChI Key: | JHTNAVFKTLXANK-UHFFFAOYSA-N |