Basic information
- Standard SMILES
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1Cc1cc(C(F)(F)F)ccc1C#N- InChIKey
AKHTTXYRNZTYHZ-BTDLBPIBSA-N- Molecular formula
- C21H13F9N2O2
- Average molar mass
- 496.3 g/mol
Names & identifiers
- Preferred name
- 2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)benzonitrile
- IUPAC
- 2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)benzonitrile
Names & synonyms
2-({(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl}methyl)-4-(trifluoromethyl)benzonitrileSCHEMBL3578496
Database identifiers
- PubChem CID
- 86628751
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 3
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 779
Related reactions
2 records
Compound notes
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