AC1LP6OC
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: AM-807/14147716|2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile|2-{[2-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(trifluoromethyl)nicotinonitrile
| Molecular Formula | C21H20F3N3O3S |
|---|---|
| Molecular Weight | 451.11774 g/mol |
| LogP | 3.9747 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 451.11774 |
| Monoisotopic Mass | 451.11774 |
| Heavy Atoms | 31 |
| Complexity | 1050.8765 |
Chemical Identifiers
| CAS Number | 445383-87-9 |
|---|---|
| SMILES | CC1=CC(=C(C(=N1)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C#N)C(F)(F)F |
Product Overview
AC1LP6OC (CAS 445383-87-9), with molecular formula C21H20F3N3O3S and molecular weight 451.11774 g/mol. IUPAC: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
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