Basic information
- Standard SMILES
N[C@@H]1CC[C@@H](c2cccc(F)c2F)CNC1=S- InChIKey
KJNNHDZKQYJWMT-GMSGAONNSA-N- Molecular formula
- C12H14F2N2S
- Average molar mass
- 256.32 g/mol
Names & identifiers
- Preferred name
- (3R,6S)-3-Amino-6-(2,3-difluorophenyl)azepane-2-thione
- IUPAC
- (3R,6S)-3-amino-6-(2,3-difluorophenyl)azepane-2-thione
Names & synonyms
SCHEMBL1821721KJNNHDZKQYJWMT-GMSGAONNSA-N(3R,6S)-3-Amino-6-(2,3-difluorophenyl)azepane-2-thione
Database identifiers
- PubChem CID
- 86620123
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
Loading…