6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-5421 |
| Compound Name: | 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C20 H15 Cl N4 O2 S |
| Smiles: | Cc1ccccc1N1C(=Nc2c(c[nH]n2)C1=O)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8996 |
| logD: | 3.8995 |
| logSw: | -4.4588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.372 |
| InChI Key: | KANQQXMTIBZGJS-UHFFFAOYSA-N |