1-benzyl-4-hydroxy-5-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-benzyl-4-hydroxy-5-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-benzyl-4-hydroxy-5-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
Compound ID: | P838-0062 |
Compound Name: | 1-benzyl-4-hydroxy-5-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 431.47 |
Molecular Formula: | C22 H17 N5 O3 S |
Smiles: | CSc1ccc(cc1)c1nc(C2=C(c3cnn(Cc4ccccc4)c3NC2=O)O)on1 |
Stereo: | ACHIRAL |
logP: | 3.9226 |
logD: | -0.6531 |
logSw: | -3.9011 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.407 |
InChI Key: | OKSFMNSHZKYEJP-UHFFFAOYSA-N |