Basic information
- CAS
57647-57-1- Standard SMILES
CC[NH+](CC)CCN(CC[NH+](CC)CC)n1cc(-c2ccc(Cl)cc2)c2cc(F)ccc21.[Cl-].[Cl-]- InChIKey
RPZCLAXSGPUOAS-UHFFFAOYSA-N- Molecular formula
- C26H38Cl3FN4
- Average molar mass
- 532 g/mol
- Monoisotopic mass
- 530.214608
Names & identifiers
- Preferred name
- Indole, 1-(bis(2-(diethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride
- IUPAC
- 2-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[2-(diethylazaniumyl)ethyl]amino]ethyl-diethylazanium dichloride
Names & synonyms
Indole, 1-(bis(2-(diethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride1-(Bis(2-(diethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoroindole dihydrochloride57647-57-1RefChem:349134
Database identifiers
- CAS
57647-57-1- PubChem CID
- 42533
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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