CID 4185126
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Basic information
- CAS
443874-98-4- Standard SMILES
C=CCOc1ccc(C=C2SC(Nc3ccc(OCC)cc3)=C(C(=O)OCC)C2=O)cc1OC- InChIKey
NVNFSFOGGCAEHV-UHFFFAOYSA-N- Molecular formula
- C26H27NO6S
- Average molar mass
- 481.6 g/mol
- Monoisotopic mass
- 481.15590875
Names & identifiers
- Preferred name
- CID 4185126
- IUPAC
- ethyl 2-(4-ethoxyanilino)-5-[(3-methoxy-4-prop-2-enoxyphenyl)methylidene]-4-oxothiophene-3-carboxylate
- English name
- ethyl 5-[4-(allyloxy)-3-methoxybenzylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
- Molecular formula
- C26H27NO6S
- Molecular weight
- 481.56
Names & synonyms
ethyl 5-[4-(allyloxy)-3-methoxybenzylidene]-2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-3-thiophenecarboxylate
Database identifiers
- CAS
443874-98-4- PubChem CID
- 4185126
Properties
Computed structural propertiesFilling in
- XLogP
- 6.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 786
Physicochemical properties
- Boiling point
- 649.115 · 649.115±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.268 · -2.268±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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