Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
DOAJVKSCAVFFRG-AJQTZOPKSA-N- Molecular formula
- C37H44Cl2N4O4
- Average molar mass
- 679.7 g/mol
- Monoisotopic mass
- 678.2739613
Names & identifiers
- Preferred name
- 4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL1384447DOAJVKSCAVFFRG-AJQTZOPKSA-N4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57732349
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
1 records
Compound notes
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