Basic information
- Standard SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
YAKPKGODMGWIFM-HAWMADMCSA-N- Molecular formula
- C29H25F8NO3
- Average molar mass
- 587.5 g/mol
Names & identifiers
- Preferred name
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4,4'-difluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-one
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[5-fluoro-2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
Names & synonyms
CHEMBL1934996(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[(4,4'-difluoro-5'-isopropyl-2'-methoxybiphenyl-2-yl)methyl]-4-methyl-1,3-oxazolidin-2-oneSCHEMBL532200BDBM50360866
Database identifiers
- PubChem CID
- 11664298
- ChEMBL
CHEMBL1934996
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 876
Related reactions
2 records
Compound notes
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