5-(2-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(2-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(2-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
Compound ID: | K643-0582 |
Compound Name: | 5-(2-methylphenyl)-6-{[(2-methylphenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
Molecular Weight: | 362.45 |
Molecular Formula: | C20 H18 N4 O S |
Smiles: | Cc1ccccc1CSC1=Nc2c(cn[nH]2)C(N1c1ccccc1C)=O |
Stereo: | ACHIRAL |
logP: | 4.4359 |
logD: | 4.4314 |
logSw: | -4.1777 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.125 |
InChI Key: | BOKUDDGOOSVGBC-UHFFFAOYSA-N |