Ethyl 2-[5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Basic information
- CAS
444561-49-3- Standard SMILES
CCOC(=O)CN1C(=O)SC(=Cc2ccc(OCc3ccc(I)cc3)c(OC)c2)C1=O- InChIKey
RVFBHCGLKSNNFF-UHFFFAOYSA-N- Molecular formula
- C22H20INO6S
- Average molar mass
- 553.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-[5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- IUPAC
- ethyl 2-[5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- English name
- ethyl (5-{4-[(4-iodobenzyl)oxy]-3-methoxybenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetate
- Molecular formula
- C22H20INO6S
- Molecular weight
- 553.37
Names & synonyms
ethyl (5-{4-[(4-iodobenzyl)oxy]-3-methoxybenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)acetateethyl [(5Z)-5-{4-[(4-iodobenzyl)oxy]-3-methoxybenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate3-Thiazolidineacetic acid, 5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylene]-2,4-dioxo-, ethyl ester
Database identifiers
- CAS
444561-49-3
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Boiling point
- 625.7 · 625.7±65.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- pka
- -2.87 · -2.87±0.20(Predicted)
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Related reactions
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Compound notes
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