Basic information
- Standard SMILES
CCC1Oc2ccc(Br)cc2C(C(=O)NC2CCCCC2)N(Cc2c(F)cccc2F)C1=O- InChIKey
FUQFFUNQBZCKNF-UHFFFAOYSA-N- Molecular formula
- C25H27BrF2N2O3
- Average molar mass
- 521.4 g/mol
Names & identifiers
- Preferred name
- 7-Bromo-4-(2,6-difluoro-benzyl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid cyclohexylamide
- IUPAC
- 7-bromo-N-cyclohexyl-4-[(2,6-difluorophenyl)methyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepine-5-carboxamide
Names & synonyms
SCHEMBL5562309FUQFFUNQBZCKNF-UHFFFAOYSA-N7-Bromo-4-(2,6-difluoro-benzyl)-2-ethyl-3-oxo-2,3,4,5-tetrahydro-benzo[f][1,4]oxazepine-5-carboxylic acid cyclohexylamide
Database identifiers
- PubChem CID
- 69489206
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 683
Related reactions
2 records
Compound notes
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