2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
Compound ID: | M459-6594 |
Compound Name: | 2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
Molecular Weight: | 404.53 |
Molecular Formula: | C23 H24 N4 O S |
Smiles: | Cc1ccc(CNC(CSc2nccc(n2)N2CCc3ccccc3C2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.6764 |
logD: | 4.6761 |
logSw: | -4.2248 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.742 |
InChI Key: | MBBONVOXLNXEKW-UHFFFAOYSA-N |