Basic information
- CAS
496767-06-7- Standard SMILES
CCOc1c(Br)cc(C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC- InChIKey
YHTDWHRTWSPILW-UHFFFAOYSA-N- Molecular formula
- C22H21BrN2O5S
- Average molar mass
- 505.4 g/mol
- Monoisotopic mass
- 504.03546
Names & identifiers
- Preferred name
- 2-[5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
- IUPAC
- 2-[5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
- English name
- 2-[5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
- Molecular formula
- C22H21BrN2O5S
- Molecular weight
- 505.38
Names & synonyms
2-[5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide2-{5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide3-Thiazolidineacetamide, 5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylene]-N-(4-methylphenyl)-2,4-dioxo-2-[5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide2-[(5E)-5-(3-bromo-4-ethoxy-5-methoxybenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
Database identifiers
- CAS
496767-06-7- PubChem CID
- 3768083
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Density
- 1.506 · 1.506±0.06 g/cm3(Predicted)
- pka
- 13.29 · 13.29±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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