Basic information
- CAS
57647-58-2- Standard SMILES
C[NH+](C)CCCN(CCC[NH+](C)C)n1cc(-c2ccc(Cl)cc2)c2cc(F)ccc21.[Cl-].[Cl-]- InChIKey
PYLHNORZPJGKSK-UHFFFAOYSA-N- Molecular formula
- C24H34Cl3FN4
- Average molar mass
- 503.9 g/mol
- Monoisotopic mass
- 502.183308
Names & identifiers
- Preferred name
- Indole, 1-(bis(3-(dimethylamino)propyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride
- IUPAC
- 3-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[3-(dimethylazaniumyl)propyl]amino]propyl-dimethylazanium dichloride
Names & synonyms
Indole, 1-(bis(3-(dimethylamino)propyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride1-(Bis(3-(dimethylamino)propyl)amino)-3-(p-chlorophenyl)-5-fluoroindole dihydrochloride57647-58-2RefChem:349148
Database identifiers
- CAS
57647-58-2- PubChem CID
- 42535
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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