Basic information
- Standard SMILES
N#CCCCCCCN1C(=O)OC[C@@H]1/C=C/C(=O)C(F)(F)c1ccccc1- InChIKey
BFHKIUKFZDGNCG-FLVLSHQESA-N- Molecular formula
- C20H22F2N2O3
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- 7-{(4s)-4-[(1e)-4,4-Difluoro-3-oxo-4-phenylbut-1-enyl]-2-oxo-1,3-oxazolidin-3-yl}heptanenitrile
- IUPAC
- 7-[(4S)-4-[(E)-4,4-difluoro-3-oxo-4-phenylbut-1-enyl]-2-oxo-1,3-oxazolidin-3-yl]heptanenitrile
Names & synonyms
7-{(4s)-4-[(1e)-4,4-difluoro-3-oxo-4-phenylbut-1-enyl]-2-oxo-1,3-oxazolidin-3-yl}heptanenitrileSCHEMBL5902968
Database identifiers
- PubChem CID
- 69601160
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 591
Related reactions
1 records
Compound notes
Loading…