2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
Basic information
- CAS
799799-35-2- Standard SMILES
COc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccccc3F)=C2C#N)cc1OC- InChIKey
DKUAHRQECQEXON-UHFFFAOYSA-N- Molecular formula
- C22H20FN3O4S
- Average molar mass
- 441.5 g/mol
Names & identifiers
- Preferred name
- 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
- IUPAC
- 2-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamide
- English name
- 2-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
- Molecular formula
- C22H20FN3O4S
- Molecular weight
- 441.48
Names & synonyms
799799-35-22-((3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamideSTK849979STK886387AKOS000607241AKOS005628943AKOS022091209NCGC00274518-012-[[5-cyano-4-(3,4-dimethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-fluorophenyl)acetamideST50291091
Show more names
Acetamide, 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(2-fluorophenyl)-
AB01278441-01F1362-01532-[4-(3,4-dimethoxyphenyl)-3-cyano-6-oxo(2-1,4,5-trihydropyridylthio)]-N-(2-fl uorophenyl)acetamide
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
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