2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one
Compound characteristics
Compound ID: | C121-0115 |
Compound Name: | 2-({5,7-dimethyl-6-[(3-methylphenyl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-2-yl}sulfanyl)-1-(3,5-dimethylpiperidin-1-yl)ethan-1-one |
Molecular Weight: | 437.61 |
Molecular Formula: | C24 H31 N5 O S |
Smiles: | CC1CC(C)CN(C1)C(CSc1nc2nc(C)c(Cc3cccc(C)c3)c(C)n2n1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9174 |
logD: | 4.917 |
logSw: | -4.7479 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 45.814 |
InChI Key: | JTKOHTAEGKNBFB-UHFFFAOYSA-N |