2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
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Basic information
- CAS
608494-95-7- Standard SMILES
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(OCC)cc3)n2)cc1- InChIKey
JMUPJLPCXBRZBO-UHFFFAOYSA-N- Molecular formula
- C26H24F3N3O3S
- Average molar mass
- 515.5 g/mol
- Monoisotopic mass
- 515.1490473
Names & identifiers
- Preferred name
- 2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
- IUPAC
- 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
- English name
- 2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
- Molecular formula
- C26H24F3N3O3S
- Molecular weight
- 515.55
Names & synonyms
2-{[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamideSTK812500AKOS0021959312-[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(4-ethoxyphenyl)acetamideAF-399/41704202Acetamide, 2-[[3-cyano-6-(4-propoxyphenyl)-4-(trifluoromethyl)-2-pyridinyl]thio]-N-(4-ethoxyphenyl)-
Database identifiers
- CAS
608494-95-7- PubChem CID
- 4114303
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 731
Physicochemical properties
- Boiling point
- 680.8 · 680.8±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.33 · 12.33±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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