Basic information
- Standard SMILES
CCOc1cc(C(C)(C)CO)ccc1C1=N[C@@H](c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)Cl- InChIKey
XVEVDEKHHFMQDJ-LOSJGSFVSA-N- Molecular formula
- C28H27Cl3N2O3
- Average molar mass
- 545.9 g/mol
Names & identifiers
- Preferred name
- (4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl chloride
- IUPAC
- (4S,5R)-4,5-bis(4-chlorophenyl)-2-[2-ethoxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4,5-dihydroimidazole-1-carbonyl chloride
Names & synonyms
SCHEMBL1383735XVEVDEKHHFMQDJ-LOSJGSFVSA-N(4S,5R)-4,5-bis-(4-chloro-phenyl)-2-[2-ethoxy-4-(2-hydroxy-1,1-dimethyl-ethyl)-phenyl]-4,5-dihydro-imidazole-1-carbonyl chloride
Database identifiers
- PubChem CID
- 86602323
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 778
Related reactions
5 records
Linked notes
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