3,5-Bis(2,5-dichlorobenzylidene)-1-ethyl-4-piperidinone
Basic information
- CAS
892157-72-1- Standard SMILES
CCN1C/C(=C\c2cc(Cl)ccc2Cl)C(=O)/C(=C/c2cc(Cl)ccc2Cl)C1- InChIKey
FSGWPDVVSDLBFA-BGPOSVGRSA-N- Molecular formula
- C21H17Cl4NO
- Average molar mass
- 441.2 g/mol
- Monoisotopic mass
- 439.006425
Names & identifiers
- Preferred name
- 3,5-Bis(2,5-dichlorobenzylidene)-1-ethyl-4-piperidinone
- IUPAC
- (3E,5E)-3,5-bis[(2,5-dichlorophenyl)methylidene]-1-ethylpiperidin-4-one
Names & synonyms
AKOS0244057213,5-BIS(2,5-DICHLOROBENZYLIDENE)-1-ETHYL-4-PIPERIDINONE
Database identifiers
- CAS
892157-72-1- PubChem CID
- 6534136
- EC Number
- 115-033-7
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
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