5-(2-fluorophenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2-fluorophenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2-fluorophenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-0334 |
| Compound Name: | 5-(2-fluorophenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C18 H12 F N5 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1204 |
| logD: | 3.1188 |
| logSw: | -3.5782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.507 |
| InChI Key: | SBFFPFNTIOLLPR-UHFFFAOYSA-N |