5-(3-chloro-4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(3-chloro-4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K829-0131 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-6-[(2-oxo-2-phenylethyl)sulfanyl]-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C20 H15 Cl N4 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])N1C(=Nc2c(cn[nH]2)C1=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8826 |
| logD: | 3.8806 |
| logSw: | -4.3403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.673 |
| InChI Key: | USOBJAMNHNPIBD-UHFFFAOYSA-N |