5-(5-chloro-2-methylphenyl)-6-{[(3-fluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Chemical Structure Depiction of
5-(5-chloro-2-methylphenyl)-6-{[(3-fluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
5-(5-chloro-2-methylphenyl)-6-{[(3-fluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Compound characteristics
Compound ID: | K829-0083 |
Compound Name: | 5-(5-chloro-2-methylphenyl)-6-{[(3-fluorophenyl)methyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one |
Molecular Weight: | 400.86 |
Molecular Formula: | C19 H14 Cl F N4 O S |
Smiles: | Cc1ccc(cc1N1C(=Nc2c(cn[nH]2)C1=O)SCc1cccc(c1)F)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.4898 |
logD: | 4.4882 |
logSw: | -4.6359 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.125 |
InChI Key: | SVNJBFCEBZPVLN-UHFFFAOYSA-N |