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Basic information
- Standard SMILES
CC(NC(=O)c1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)O- InChIKey
GSEDEUNPQAEKCX-UHFFFAOYSA-N- Molecular formula
- C23H19BrCl2N4O4
- Average molar mass
- 566.2 g/mol
Names & identifiers
- Preferred name
- 2-[[5-[(4-Bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoic acid
- IUPAC
- 2-[[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonyl]amino]propanoic acid
Names & synonyms
SCHEMBL2391408
Database identifiers
- PubChem CID
- 67390010
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 804
Related reactions
1 records
Compound notes
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