2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
Compound ID: | M459-5844 |
Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide |
Molecular Weight: | 418.56 |
Molecular Formula: | C24 H26 N4 O S |
Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O |
Stereo: | ACHIRAL |
logP: | 5.0849 |
logD: | 5.0849 |
logSw: | -4.8054 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.024 |
InChI Key: | ADORKEOMAJBTNZ-UHFFFAOYSA-N |