7,10-Dichloro-1,2,3,4,5,6-hexahydro-3-methyl-6-(2-(6-methylpyridin-3-yl)ethyl)azepino[4,5-b]indole
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccc(CCn2c3c(c4c(Cl)ccc(Cl)c42)CCN(C)CC3)cn1- InChIKey
RQBAGJUOJHYWMO-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2N3
- Average molar mass
- 388.3 g/mol
Names & identifiers
- Preferred name
- 7,10-Dichloro-1,2,3,4,5,6-hexahydro-3-methyl-6-(2-(6-methylpyridin-3-yl)ethyl)azepino[4,5-b]indole
- IUPAC
- 7,10-dichloro-3-methyl-6-[2-(6-methyl-3-pyridinyl)ethyl]-1,2,4,5-tetrahydroazepino[4,5-b]indole
Names & synonyms
SCHEMBL13833968RQBAGJUOJHYWMO-UHFFFAOYSA-N7,10-dichloro-1,2,3,4,5,6-hexahydro-3-methyl-6-(2-(6-methylpyridin-3-yl)ethyl)azepino [4,5-b]indole7,10-dichloro-1,2,3,4,5,6-hexahydro-3-methyl-6-(2-(6-methylpyridin-3-yl)ethyl)azepino[4,5-b]indole
Database identifiers
- PubChem CID
- 71007603
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 476
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Related reactions
3 records
Compound notes
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