Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Cl- InChIKey
KFKCJVFDEBWEKF-LOSJGSFVSA-N- Molecular formula
- C28H27Cl3N2O2
- Average molar mass
- 529.9 g/mol
Names & identifiers
- Preferred name
- (4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl chloride
- IUPAC
- (4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl chloride
Names & synonyms
SCHEMBL1382013SCHEMBL30225601KFKCJVFDEBWEKF-LOSJGSFVSA-N(4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl chloride
Database identifiers
- PubChem CID
- 57732375
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 754
Related reactions
33 records
Compound notes
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