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Basic information
- Standard SMILES
C=C(Cn1c2c(c3cc(C)cc(Br)c31)CN(C)CC2)c1ccc(F)cc1- InChIKey
VASZYWBPDBLTHJ-UHFFFAOYSA-N- Molecular formula
- C22H22BrFN2
- Average molar mass
- 413.3 g/mol
Names & identifiers
- Preferred name
- 6-bromo-5-(2-(4-fluorophenyl)allyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
- IUPAC
- 6-bromo-5-[2-(4-fluorophenyl)prop-2-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
Names & synonyms
SCHEMBL2361752VASZYWBPDBLTHJ-UHFFFAOYSA-N6-bromo-5-(2-(4-fluorophenyl)allyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Database identifiers
- PubChem CID
- 67378652
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 8.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
2 records
Compound notes
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