2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-5-phenylfuran-3-carbonitrile
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Basic information
- CAS
478033-35-1- Standard SMILES
COc1ccc(C=Nc2oc(-c3ccccc3)cc2C#N)cc1OC- InChIKey
HPBHQNVIOBKNIR-UHFFFAOYSA-N- Molecular formula
- C20H16N2O3
- Average molar mass
- 332.4 g/mol
Names & identifiers
- Preferred name
- 2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-5-phenylfuran-3-carbonitrile
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
- English name
- 2-([(E)-(3,4-Dimethoxyphenyl)methylidene]amino)-5-phenyl-3-furonitrile
- Molecular formula
- C20H16N2O3
- Molecular weight
- 332.35
Names & synonyms
2-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-5-phenylfuran-3-carbonitrileHMS2296A142-([(E)-(3,4-Dimethoxyphenyl)methylidene]amino)-5-phenyl-3-furonitrile3-Furancarbonitrile, 2-[[(3,4-dimethoxyphenyl)methylene]amino]-5-phenyl-
Database identifiers
- CAS
478033-35-1
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Boiling point
- 557.2 · 557.2±50.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 2.18 · 2.18±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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