6-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-0531 |
| Compound Name: | 6-{[(3-nitrophenyl)methyl]sulfanyl}-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 379.4 |
| Molecular Formula: | C18 H13 N5 O3 S |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1=Nc2c(cn[nH]2)C(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9483 |
| logD: | 2.9465 |
| logSw: | -3.5117 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.808 |
| InChI Key: | AUPGCCQVUHRAFB-UHFFFAOYSA-N |