Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride
Basic information
- CAS
57647-56-0- Standard SMILES
C[NH+](C)CCN(CC[NH+](C)C)n1cc(-c2ccc(Cl)cc2)c2cc(F)ccc21.[Cl-].[Cl-]- InChIKey
RTIZWXZVQUDDCL-UHFFFAOYSA-N- Molecular formula
- C22H30Cl3FN4
- Average molar mass
- 475.9 g/mol
- Monoisotopic mass
- 474.152008
Names & identifiers
- Preferred name
- Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride
- IUPAC
- 2-[[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-[2-(dimethylazaniumyl)ethyl]amino]ethyl-dimethylazanium dichloride
Names & synonyms
Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride1-(Bis(2-(dimethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoroindole dihydrochloride57647-56-0RefChem:349142
Database identifiers
- CAS
57647-56-0- PubChem CID
- 42531
Properties
Computed structural properties
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 457
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Compound notes
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