3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
Compound ID: | G426-0782 |
Compound Name: | 3-[7-ethyl-3-methyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]-N-[3-(methylsulfanyl)phenyl]propanamide |
Molecular Weight: | 461.59 |
Molecular Formula: | C25 H27 N5 O2 S |
Smiles: | CCN1C(C(CCC(Nc2cccc(c2)SC)=O)=Nc2c(C)nn(c3ccc(C)cc3)c12)=O |
Stereo: | ACHIRAL |
logP: | 3.8483 |
logD: | 3.8483 |
logSw: | -3.9557 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.4 |
InChI Key: | QCZFHJNUPYZCCY-UHFFFAOYSA-N |