Basic information
- Standard SMILES
CS(=O)CCN1C[C@H](c2cccc(F)c2F)CC[C@@H](N)C1=O- InChIKey
SAWXAAFCRHCEPF-ZDHLAWRCSA-N- Molecular formula
- C15H20F2N2O2S
- Average molar mass
- 330.4 g/mol
Names & identifiers
- Preferred name
- (3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]azepan-2-one
- IUPAC
- (3R,6S)-3-amino-6-(2,3-difluorophenyl)-1-(2-methylsulfinylethyl)azepan-2-one
Names & synonyms
SCHEMBL1198427SAWXAAFCRHCEPF-ZDHLAWRCSA-N(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-[2-(methylsulfinyl)ethyl]azepan-2-one
Database identifiers
- PubChem CID
- 60037847
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
Related reactions
13 records
Compound notes
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