Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](CC)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1- InChIKey
YIUKZQDNQJJZLM-HKFHRXRESA-N- Molecular formula
- C34H38Cl2N4O3
- Average molar mass
- 621.6 g/mol
- Monoisotopic mass
- 620.2320965
Names & identifiers
- Preferred name
- rac-4-[(4S*,5R*)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4-ethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
- IUPAC
- 4-[(4R,5S)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-5-ethyl-4H-imidazole-3-carbonyl]piperazin-2-one
Names & synonyms
SCHEMBL3543332YIUKZQDNQJJZLM-HKFHRXRESA-Nrac-4-[(4S*,5R*)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4-ethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one
Database identifiers
- PubChem CID
- 58894239
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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