Basic information
- CAS
80785-18-8- Standard SMILES
CC(C)[NH+](CCOc1ccc([NH+]=C(Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1)C(C)C.[Br-].[Br-]- InChIKey
ZHODSMJMIBBDHE-UHFFFAOYSA-N- Molecular formula
- C28H34Br2F3N3O
- Average molar mass
- 645.4 g/mol
- Monoisotopic mass
- 643.10207
Names & identifiers
- Preferred name
- Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(alpha,alpha,alpha-fluoro-m-tolyl)-,dihydrochloride
- IUPAC
- 2-[4-[phenyl-[3-(trifluoromethyl)anilino]methylidene]azaniumylphenoxy]ethyl-di(propan-2-yl)azanium dibromide
Names & synonyms
80785-18-8Benzamidine, N-(p-(2-(diisopropylamino)ethoxy)phenyl)-N'-(alpha,alpha,alpha-fluoro-m-tolyl)-,dihydrochlorideRefChem:322663
Database identifiers
- CAS
80785-18-8- PubChem CID
- 54658
Properties
Computed structural properties
- Topological polar surface area
- 39.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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