5-Benzylidene-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
Basic information
- CAS
115208-67-8- Standard SMILES
CCOc1ccc(N=C2SC(=Cc3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1- InChIKey
XZNYWKZYTUABSV-UHFFFAOYSA-N- Molecular formula
- C26H24N2O3S
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.15076381
Names & identifiers
- Preferred name
- 5-Benzylidene-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
- IUPAC
- 5-benzylidene-3-(4-ethoxyphenyl)-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
- English name
- 5-benzylidene-3-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one
- Molecular formula
- C26H24N2O3S
- Molecular weight
- 444.55
Names & synonyms
5-benzylidene-3-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-1,3-thiazolidin-4-one4-Thiazolidinone, 3-(4-ethoxyphenyl)-2-[(4-ethoxyphenyl)imino]-5-(phenylmethylene)-
Database identifiers
- CAS
115208-67-8- PubChem CID
- 3110985
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 673
Physicochemical properties
- Boiling point
- 614.4 · 614.4±65.0 °C(Predicted)
- Density
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- pka
- -0.32 · -0.32±0.20(Predicted)
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Compound notes
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