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
- Formal charge
- 0
- Complexity
- 580
Related reactions
7 records
Linked notes
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