3-[[5-[(3-Bromo-4,5-diethoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
Basic information
- CAS
885958-64-5- Standard SMILES
CCOc1cc(C=C2SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc(Br)c1OCC- InChIKey
IDOGPJKYVUSIAA-UHFFFAOYSA-N- Molecular formula
- C22H21BrN2O5S
- Average molar mass
- 505.4 g/mol
- Monoisotopic mass
- 504.03546
Names & identifiers
- Preferred name
- 3-[[5-[(3-Bromo-4,5-diethoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid
- IUPAC
- 3-[[5-[(3-bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Names & synonyms
DTXSID1011136473-[[5-[(3-Bromo-4,5-diethoxyphenyl)methylene]-3-methyl-4-oxo-2-thiazolidinylidene]amino]benzoic acid885958-64-53-({5-[(3-Bromo-4,5-diethoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
Database identifiers
- CAS
885958-64-5- PubChem CID
- 4764985
- DTXSID
DTXSID101113647
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 731
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Related reactions
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Compound notes
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