Basic information
- Standard SMILES
N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(Cc2ccccn2)C1=O- InChIKey
XFCMEJNINARIRL-MLGOLLRUSA-N- Molecular formula
- C18H19F2N3O
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-2-one
- IUPAC
- (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-2-one
Names & synonyms
SCHEMBL1197925XFCMEJNINARIRL-MLGOLLRUSA-N(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-2-on(3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(pyridin-2-ylmethyl)azepan-2-one
Database identifiers
- PubChem CID
- 60037848
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Related reactions
14 records
Compound notes
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