8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylic acid

HCID 66959623

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

Related reactions

12 records

Compound notes

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