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

HCID 58228529

Basic information

Standard SMILES
CCOC(=O)C1=Cc2ccc(Br)cc2N=C(NC(=O)OC(C)(C)C)C1
InChIKey
UTBIWGNBEKFQQE-UHFFFAOYSA-N
Molecular formula
C18H21BrN2O4
Average molar mass
409.3 g/mol

Names & identifiers

Preferred name
Ethyl 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylate
IUPAC
ethyl 8-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3H-1-benzazepine-4-carboxylate

Names & synonyms

926927-57-3Ethyl 8-bromo-2-((tert-butoxycarbonyl)amino)-3H-benzo[b]azepine-4-carboxylatestarbld0046223C18H21BrN2O4SCHEMBL2333056UTBIWGNBEKFQQE-UHFFFAOYSA-NMFCD16660833CS-0092340C92919F616048Ethyl 8-bromo-2-((t-butoxycarbonyl)amino)-3H-benZo[b]aZepine-4-carboxylateethyl 8-bromo-2-(tert-butoxycarbonylamino)-3H-1-benzazepine-4-carboxylate
Show more names
(1E,4E)-ethyl 8-bromo-2-(tert-butoxycarbonylamino)-3H-benzo[b]azepine-4-carboxylate

Database identifiers

PubChem CID
58228529

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
77 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
25

Related reactions

7 records

Linked notes

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