2-Amino-4-(3-methoxyphenyl)-8-[(3-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
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Basic information
- CAS
339583-00-5- Standard SMILES
COc1cccc(C=C2CCCC3=C2OC(N)=C(C#N)C3c2cccc(OC)c2)c1- InChIKey
QQPZEXPYXVZDIL-UHFFFAOYSA-N- Molecular formula
- C25H24N2O3
- Average molar mass
- 400.5 g/mol
Names & identifiers
- Preferred name
- 2-Amino-4-(3-methoxyphenyl)-8-[(3-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
- IUPAC
- 2-amino-4-(3-methoxyphenyl)-8-[(3-methoxyphenyl)methylidene]-4,5,6,7-tetrahydrochromene-3-carbonitrile
- English name
- 2-amino-8-(3-methoxybenzylidene)-4-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- Molecular formula
- C25H24N2O3
- Molecular weight
- 400.47
Names & synonyms
ChemDivAM_000498ChemDiv1_010591Oprea1_7437252-amino-8-(3-methoxybenzylidene)-4-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
Database identifiers
- CAS
339583-00-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 787
Physicochemical properties
- Boiling point
- 667.399 · 667.399±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.256 · 1.256±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.829 · 3.829±0.40(predicted)
Related reactions
0 records
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Compound notes
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