Basic information
- Standard SMILES
C[C@H](c1ccccc1)N1CCO[C@H]([C@@H](Sc2ccccc2C(F)(F)F)c2ccccc2)C1- InChIKey
YFUJBSFZGBMKNP-VPHKFGTKSA-N- Molecular formula
- C26H26F3NOS
- Average molar mass
- 457.6 g/mol
Names & identifiers
- Preferred name
- (2S)-4-[(1R)-1-Phenylethyl]-2-((S)-phenyl{[2-(trifluoromethyl)phenyl]thio}methyl)morpholine
- IUPAC
- (2S)-4-[(1R)-1-phenylethyl]-2-[(S)-phenyl-[2-(trifluoromethyl)phenyl]sulfanylmethyl]morpholine
Names & synonyms
(2S)-4-[(1R)-1-Phenylethyl]-2-((S)-phenyl{[2-(trifluoromethyl)phenyl]thio}methyl)morpholineSCHEMBL5107054
Database identifiers
- PubChem CID
- 69313855
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 562
Related reactions
2 records
Compound notes
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