1-(4-methylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
1-(4-methylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
1-(4-methylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C365-0173 |
| Compound Name: | 1-(4-methylphenyl)-6-{[(4-nitrophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C19 H15 N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c2c(cn1)C(NC(=N2)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7833 |
| logD: | 3.7446 |
| logSw: | -3.7801 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.833 |
| InChI Key: | TYXZHIFZUPAHRW-UHFFFAOYSA-N |