Basic information
- Standard SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H]1C- InChIKey
GNINNZHARNJSRT-QMTYFTJSSA-N- Molecular formula
- C31H27F10NO3
- Average molar mass
- 651.5 g/mol
Names & identifiers
- Preferred name
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazinan-2-one
- IUPAC
- (4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazinan-2-one
Names & synonyms
(4S,6S)-6-[3,5-bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl}-4-methyl-1,3-oxazinan-2-oneSCHEMBL4313907
Database identifiers
- PubChem CID
- 57544347
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 980
Related reactions
1 records
Compound notes
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