6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K781-5630 |
| Compound Name: | 6-{[(2-chlorophenyl)methyl]sulfanyl}-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
| Molecular Weight: | 398.87 |
| Molecular Formula: | C19 H15 Cl N4 O2 S |
| Smiles: | COc1ccc(cc1)N1C(=Nc2c(cn[nH]2)C1=O)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8488 |
| logD: | 3.8473 |
| logSw: | -4.1669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.97 |
| InChI Key: | PNIAFHRNEMESDJ-UHFFFAOYSA-N |