Basic information
- Standard SMILES
O=C(OCc1ccccc1)c1cc(Br)cc2c1NCCCC2- InChIKey
AIRPATVNRBPAHH-UHFFFAOYSA-N- Molecular formula
- C18H18BrNO2
- Average molar mass
- 360.2 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid benzyl ester
- IUPAC
- benzyl 7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylate
Names & synonyms
SCHEMBL9470586AIRPATVNRBPAHH-UHFFFAOYSA-N7-Bromo-2,3,4,5-tetrahydro-1H-1-benzazepine-9-carboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 53645003
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
Related reactions
1 records
Compound notes
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