Basic information
- Standard SMILES
CCCCN1CCC(C(=O)OC)=Cc2cc(Br)ccc21- InChIKey
NFZHPNSUZDRWOE-UHFFFAOYSA-N- Molecular formula
- C16H20BrNO2
- Average molar mass
- 338.24 g/mol
Names & identifiers
- Preferred name
- methyl 7-bromo-1-butyl-2,3-dihydro-1H-1-benzazepine-4-carboxylate
- IUPAC
- methyl 7-bromo-1-butyl-2,3-dihydro-1-benzazepine-4-carboxylate
Names & synonyms
SCHEMBL6339852NFZHPNSUZDRWOE-UHFFFAOYSA-Nmethyl 7-bromo-1-butyl-2,3-dihydro-1H-1-benzazepine-4-carboxylate
Database identifiers
- PubChem CID
- 22329329
- Nikkaji
- J2.116.237J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 369
Related reactions
3 records
Compound notes
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