2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
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Basic information
- CAS
332100-44-4- Standard SMILES
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC(=O)Nc3cc(C)ccc3C)c2C#N)cc1OC- InChIKey
VZKDXGCWAVBXCS-UHFFFAOYSA-N- Molecular formula
- C31H29N3O3S
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.19296297
Names & identifiers
- Preferred name
- 2-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
- IUPAC
- 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethylphenyl)acetamide
- English name
- 2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]sulfanyl}-N-(2,5-dimethylphenyl)acetamide
- Molecular formula
- C31H29N3O3S
- Molecular weight
- 523.65
Names & synonyms
2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]sulfanyl}-N-(2,5-dimethylphenyl)acetamideOprea1_221449Oprea1_2242682-[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamideAG-690/13507620Acetamide, 2-[[3-cyano-4-(3,4-dimethoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]thio]-N-(2,5-dimethylphenyl)-
Database identifiers
- CAS
332100-44-4- PubChem CID
- 1727422
Properties
Computed structural propertiesFilling in
- XLogP
- 6.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 809
Physicochemical properties
- Boiling point
- 699.8 · 699.8±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 12.99 · 12.99±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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