9,10-Dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride
Basic information
- Standard SMILES
Cl.Fc1ccc(OCCn2c3c(c4c(Cl)c(Cl)ccc42)CCNCC3)cc1- InChIKey
MKDIEQBVVZZUHJ-UHFFFAOYSA-N- Molecular formula
- C20H20Cl3FN2O
- Average molar mass
- 429.7 g/mol
- Monoisotopic mass
- 428.062525
Names & identifiers
- Preferred name
- 9,10-Dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride
- IUPAC
- 9,10-dichloro-6-[2-(4-fluorophenoxy)ethyl]-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole;hydrochloride
Names & synonyms
SCHEMBL6475051MKDIEQBVVZZUHJ-UHFFFAOYSA-N9,10-Dichloro-6-[2-(4-fluorophenoxy)ethyl]-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole hydrochloride
Database identifiers
- PubChem CID
- 22396802
Properties
Computed structural properties
- Topological polar surface area
- 26.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
4 records
Compound notes
Loading…