4-Imidazolidinone, 3-(4-bromophenyl)-5-((2,3-dimethoxyphenyl)methylene)-2-thioxo-
Basic information
- CAS
40747-61-3- Standard SMILES
COc1cccc(/C=C2\NC(=S)N(c3ccc(Br)cc3)C2=O)c1OC- InChIKey
UACFJBOCHCIHFC-UVTDQMKNSA-N- Molecular formula
- C18H15BrN2O3S
- Average molar mass
- 419.3 g/mol
- Monoisotopic mass
- 417.99868
Names & identifiers
- Preferred name
- 4-Imidazolidinone, 3-(4-bromophenyl)-5-((2,3-dimethoxyphenyl)methylene)-2-thioxo-
- IUPAC
- (5Z)-3-(4-bromophenyl)-5-[(2,3-dimethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Names & synonyms
4-Imidazolidinone, 3-(4-bromophenyl)-5-((2,3-dimethoxyphenyl)methylene)-2-thioxo-40747-61-3RefChem:1070909BRN 08441203-(4-Bromophenyl)-5-((2,3-dimethoxyphenyl)methylene)-2-thioxo-4-imidazolidinone5-25-03-00330 (Beilstein Handbook Reference)
Database identifiers
- CAS
40747-61-3- PubChem CID
- 6434271
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 548
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Compound notes
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