3,5-Bis(2-bromobenzylidene)-1-ethyl-4-piperidinone
Basic information
- CAS
330657-34-6- Standard SMILES
CCN1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1- InChIKey
NPRNKCGXSYJYRW-JYFOCSDGSA-N- Molecular formula
- C21H19Br2NO
- Average molar mass
- 461.2 g/mol
- Monoisotopic mass
- 458.98334
Names & identifiers
- Preferred name
- 3,5-Bis(2-bromobenzylidene)-1-ethyl-4-piperidinone
- IUPAC
- (3E,5E)-3,5-bis[(2-bromophenyl)methylidene]-1-ethylpiperidin-4-one
Names & synonyms
CHEMBL2386415AKOS002344993ST0201043,5-BIS(2-BROMOBENZYLIDENE)-1-ETHYL-4-PIPERIDINONE3,5-bis[(2-bromophenyl)methylene]-1-ethylazaperhydroin-4-one
Database identifiers
- CAS
330657-34-6- PubChem CID
- 6505261
- ChEMBL
CHEMBL2386415- EC Number
- 123-149-4
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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