5-[(2,5-Dimethylphenyl)methylidene]-3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
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Basic information
- CAS
352678-05-8- Standard SMILES
CCc1ccc(N=C2SC(=Cc3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1- InChIKey
SRZZRVYDVLHOKV-UHFFFAOYSA-N- Molecular formula
- C28H28N2OS
- Average molar mass
- 440.6 g/mol
Names & identifiers
- Preferred name
- 5-[(2,5-Dimethylphenyl)methylidene]-3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
- IUPAC
- 5-[(2,5-dimethylphenyl)methylidene]-3-(4-ethylphenyl)-2-(4-ethylphenyl)imino-1,3-thiazolidin-4-one
- English name
- 5-(2,5-dimethylbenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one
- Molecular formula
- C28H28N2OS
- Molecular weight
- 440.6
Names & synonyms
5-(2,5-dimethylbenzylidene)-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-1,3-thiazolidin-4-one4-Thiazolidinone, 5-[(2,5-dimethylphenyl)methylene]-3-(4-ethylphenyl)-2-[(4-ethylphenyl)imino]-
Database identifiers
- CAS
352678-05-8
Properties
Computed structural propertiesFilling in
- XLogP
- 8.1
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 700
Physicochemical properties
- Boiling point
- 592.2 · 592.2±60.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- -0.48 · -0.48±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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