Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=NC(CC)(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl- InChIKey
AWUJSFPEJWHVTB-UHFFFAOYSA-N- Molecular formula
- C30H31Cl3N2O2
- Average molar mass
- 557.9 g/mol
Names & identifiers
- Preferred name
- rac-(4S*,5R*)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4-ethyl-4,5-dihydro-imidazole-1-carbonyl chloride
- IUPAC
- 2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-4H-imidazole-3-carbonyl chloride
Names & synonyms
SCHEMBL3548036AWUJSFPEJWHVTB-UHFFFAOYSA-Nrac-(4S*,5R*)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4-ethyl-4,5-dihydro-imidazole-1-carbonyl chloride
Database identifiers
- PubChem CID
- 53628804
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
2 records
Compound notes
Loading…