Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1.Cl- InChIKey
KQAUINQXPQRKBS-QBYKQQEBSA-N- Molecular formula
- C32H35Cl3N4O3
- Average molar mass
- 630 g/mol
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]-piperazin-2-one hydrochloride
- IUPAC
- 4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one;hydrochloride
Names & synonyms
SCHEMBL1380789KQAUINQXPQRKBS-QBYKQQEBSA-N4-[(4S,5R)-2-(4-tert-Butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dihydro-imidazole-1-carbonyl]-piperazin-2-one hydrochloride
Database identifiers
- PubChem CID
- 67012291
Properties
Computed structural properties
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 955
Related reactions
1 records
Compound notes
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