6-{[(4-nitrophenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(4-nitrophenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(4-nitrophenyl)methyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0004 |
| Compound Name: | 6-{[(4-nitrophenyl)methyl]sulfanyl}-1-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(c1ccc(cc1)[N+]([O-])=O)SC1NC(c2cnn(c3ccccc3)c2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2384 |
| logD: | 3.1997 |
| logSw: | -3.6926 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.833 |
| InChI Key: | QNBOILLXJCHVHJ-UHFFFAOYSA-N |