Basic information
- Standard SMILES
CC(C)(C)OC(=O)NC1=Nc2cc(Br)ccc2C=C(C(=O)O)C1- InChIKey
XEUDFCAJXSUGRQ-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O4
- Average molar mass
- 381.22 g/mol
Names & identifiers
- Preferred name
- 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid
- IUPAC
- 8-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-1-benzazepine-4-carboxylic acid
Names & synonyms
1226791-81-68-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid8-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-1-benzazepine-4-carboxylic acidSCHEMBL1235939SCHEMBL30006352XEUDFCAJXSUGRQ-UHFFFAOYSA-N8-bromo-2-{[(tert-butoxy)carbonyl]amino}-3H-1-benzazepine-4-carboxylic acidCS-0092341F51372F6049608-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylicacid8-bromo-2-(tert-butoxycarbonylamino)-3H-1-benzazepine-4-carboxylic acid
Show more names
(1E,4E)-8-bromo-2-(tert-butoxycarbonylamino)-3H-benzo[b]azepine-4-carboxylic acid
Database identifiers
- PubChem CID
- 66959623
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Related reactions
12 records
Compound notes
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