Basic information
- Standard SMILES
CN1CCC(OC2c3cccc(Br)c3CCn3cc(-c4ccccc4)nc32)CC1- InChIKey
YQWILFKFSQDWGC-UHFFFAOYSA-N- Molecular formula
- C24H26BrN3O
- Average molar mass
- 452.4 g/mol
Names & identifiers
- Preferred name
- 8-bromo-4-(1-methyl-piperidin-4-yloxy)-2-phenyl-9,10-dihydro-4H-3,10a-diaza-benzo[f]azulene
- IUPAC
- 7-bromo-11-(1-methylpiperidin-4-yl)oxy-2-phenyl-6,11-dihydro-5H-imidazo[2,1-b][3]benzazepine
Names & synonyms
SCHEMBL16581696YQWILFKFSQDWGC-UHFFFAOYSA-N8-bromo-4-(1-methyl-piperidin-4-yloxy)-2-phenyl-9,10-dihydro-4H-3,10a-diaza-benzo[f]azulene
Database identifiers
- PubChem CID
- 86704002
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 30.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 534
Related reactions
5 records
Compound notes
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