Basic information
- Standard SMILES
CCOc1cc(C(C)(C)C)ncc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)O)CC1.Cl- InChIKey
DHIZSNPGURJKLE-PFHIRXQESA-N- Molecular formula
- C35H42Cl3N5O4
- Average molar mass
- 703.1 g/mol
- Monoisotopic mass
- 701.230238
Names & identifiers
- Preferred name
- {4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid hydrochloride
- IUPAC
- 2-[4-[(4S,5R)-2-(6-tert-butyl-4-ethoxy-3-pyridinyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]acetic acid;hydrochloride
Names & synonyms
SCHEMBL1902170DHIZSNPGURJKLE-PFHIRXQESA-N{4-[(4S,5R)-2-(6-tert-Butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid hydrochloride{4-[(4s,5r)-2-(6-tert-butyl-4-ethoxy-pyridin-3-yl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl]-piperazin-1-yl}-acetic acid hydrochloride salt
Database identifiers
- PubChem CID
- 25262898
Properties
Computed structural properties
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
26 records
Linked notes
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