3-Benzyl-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
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Basic information
- CAS
345974-97-2- Standard SMILES
O=C1C(=Cc2ccc(O)cc2)SC(=NCc2ccccc2)N1Cc1ccccc1- InChIKey
OXVYFQRFUFHQQR-UHFFFAOYSA-N- Molecular formula
- C24H20N2O2S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.12454906
Names & identifiers
- Preferred name
- 3-Benzyl-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
- IUPAC
- 3-benzyl-2-benzylimino-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
- English name
- 3-benzyl-2-(benzylimino)-5-(4-hydroxybenzylidene)-1,3-thiazolidin-4-one
- Molecular formula
- C24H20N2O2S
- Molecular weight
- 400.49
Names & synonyms
3-benzyl-2-(benzylimino)-5-(4-hydroxybenzylidene)-1,3-thiazolidin-4-one
Database identifiers
- CAS
345974-97-2- PubChem CID
- 1208427
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Boiling point
- 587.508 · 587.508±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.151 · 9.151±0.30(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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