5-(3-chloro-4-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-4-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-3587 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-6-{[(3-nitrophenyl)methyl]sulfanyl}-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 427.87 |
| Molecular Formula: | C19 H14 Cl N5 O3 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(c[nH]n2)C1=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4686 |
| logD: | 4.4686 |
| logSw: | -4.6438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.808 |
| InChI Key: | NZWYAPOKSIEFKQ-UHFFFAOYSA-N |