1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3,4-dichlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
Basic information
- CAS
73043-50-2- Standard SMILES
C1CNCCN1.CC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1CCCC(=O)O.CC1=N/C(=C/c2ccc(Cl)c(Cl)c2)C(=O)N1CCCC(=O)O- InChIKey
ZAEOTNRPEYYWEK-INMZZCFLSA-N- Molecular formula
- C34H38Cl4N6O6
- Average molar mass
- 768.5 g/mol
- Monoisotopic mass
- 766.160694
Names & identifiers
- Preferred name
- 1H-Imidazole-1-butanoic acid, 4,5-dihydro-4-((3,4-dichlorophenyl)methylene)-2-methyl-5-oxo-, compd. with piperazine (2:1)
- IUPAC
- bis(4-[(4E)-4-[(3,4-dichlorophenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]butanoic acid);piperazine
Names & synonyms
73043-50-2RefChem:1057959
Database identifiers
- CAS
73043-50-2- PubChem CID
- 6447282
Properties
Computed structural properties
- Topological polar surface area
- 164 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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