5-[[4-[(4-Bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
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Basic information
- CAS
357648-38-5- Standard SMILES
O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)cc2)S1- InChIKey
LKOZFNYADKCUDT-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO3S
- Average molar mass
- 390.3 g/mol
Names & identifiers
- Preferred name
- 5-[[4-[(4-Bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
- IUPAC
- 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
- English name
- 5-((E)-(4-[(4-Bromobenzyl)oxy]phenyl)methylidene)-1,3-thiazolane-2,4-dione
- Molecular formula
- C17H12BrNO3S
- Molecular weight
- 390.25
Names & synonyms
Bionet1_003674AKOS0307514982,4-Thiazolidinedione, 5-[[4-[(4-bromophenyl)methoxy]phenyl]methylene]-5-((E)-(4-[(4-Bromobenzyl)oxy]phenyl)methylidene)-1,3-thiazolane-2,4-dione(5E)-5-({4-[(4-bromophenyl)methoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
357648-38-5
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 480
Physicochemical properties
- Density
- 1.587 · 1.587±0.06 g/cm3(Predicted)
- pka
- 7.26 · 7.26±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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