3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
Compound ID: | G833-0339 |
Compound Name: | 3-[4,5-dimethyl-2-(2-methylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(methylsulfanyl)phenyl]propanamide |
Molecular Weight: | 446.57 |
Molecular Formula: | C25 H26 N4 O2 S |
Smiles: | CC1=C(CCC(Nc2cccc(c2)SC)=O)C(n2c(cc(c3ccccc3C)n2)N1C)=O |
Stereo: | ACHIRAL |
logP: | 4.284 |
logD: | 4.2839 |
logSw: | -4.3131 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.057 |
InChI Key: | PWFBOSNFNZXFFW-UHFFFAOYSA-N |