6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0322 |
| Compound Name: | 6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-ethylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 396.9 |
| Molecular Formula: | C20 H17 Cl N4 O S |
| Smiles: | CCc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7971 |
| logD: | 4.7955 |
| logSw: | -4.7799 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.426 |
| InChI Key: | AUEGXSNTWMEDKL-UHFFFAOYSA-N |