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Basic information
- Standard SMILES
COC(=O)C1CCN(C(=O)OC(C)(C)C)c2ccc(Br)cc2C1=O- InChIKey
WXOISONFJSIIPL-UHFFFAOYSA-N- Molecular formula
- C17H20BrNO5
- Average molar mass
- 398.2 g/mol
Names & identifiers
- Preferred name
- Methyl 7-bromo-1-(t-butoxycarbonyl)-1,2,3,4-tetrahydro-1-benzazepin-5-one-4-carboxylate
- IUPAC
- 1-O-tert-butyl 4-O-methyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzazepine-1,4-dicarboxylate
Names & synonyms
SCHEMBL6349458WXOISONFJSIIPL-UHFFFAOYSA-Nmethyl 7-bromo-1-(t-butoxycarbonyl)-1,2,3,4-tetrahydro-1-benzazepin-5-one-4-carboxylate
Database identifiers
- PubChem CID
- 22329331
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 516
Related reactions
1 records
Compound notes
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