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Basic information
- Standard SMILES
COCCN1CC(c2cccc(F)c2F)CCC(N)C1=O- InChIKey
ADVKQNAXOGQILA-UHFFFAOYSA-N- Molecular formula
- C15H20F2N2O2
- Average molar mass
- 298.33 g/mol
- Monoisotopic mass
- 298.14928421
Names & identifiers
- Preferred name
- 3-Amino-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
- IUPAC
- 3-amino-6-(2,3-difluorophenyl)-1-(2-methoxyethyl)azepan-2-one
Names & synonyms
SCHEMBL5815838
Database identifiers
- PubChem CID
- 22293239
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 357
Related reactions
4 records
Compound notes
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