5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2,6-dimethylphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
Basic information
- CAS
328266-61-1- Standard SMILES
Cc1cccc(C)c1N=C1SC(=Cc2cc3c(cc2Cl)OCO3)C(=O)N1c1ccccc1- InChIKey
VHAKNCUBVFVAPK-UHFFFAOYSA-N- Molecular formula
- C25H19ClN2O3S
- Average molar mass
- 462.9 g/mol
Names & identifiers
- Preferred name
- 5-[(6-Chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2,6-dimethylphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
- IUPAC
- 5-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(2,6-dimethylphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
- English name
- 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one
- Molecular formula
- C25H19ClN2O3S
- Molecular weight
- 462.95
Names & synonyms
5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-2-[(2,6-dimethylphenyl)imino]-3-phenyl-1,3-thiazolidin-4-one
Database identifiers
- CAS
328266-61-1
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 758
Physicochemical properties
- Boiling point
- 627.135 · 627.135±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.362 · 1.362±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.122 · -1.122±0.20(predicted)
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