Basic information
- Standard SMILES
COC(=O)C[C@@H]1CCN([C@H](C#CC(C)COCc2ccccc2)CCC(F)(F)F)[C@H](c2ccc(C(F)(F)F)cc2)C1- InChIKey
VGFVCUKQGLFZEJ-BRMJEACXSA-N- Molecular formula
- C31H35F6NO3
- Average molar mass
- 583.6 g/mol
Names & identifiers
- Preferred name
- Methyl {(2S,4R)-1-[(1S)-5-(benzyloxy)-4-methyl-1-(3,3,3-trifluoropropyl)pent-2-yn-1-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetate
- IUPAC
- methyl 2-[(2S,4R)-2-[4-(trifluoromethyl)phenyl]-1-[(4S)-1,1,1-trifluoro-7-methyl-8-phenylmethoxyoct-5-yn-4-yl]piperidin-4-yl]acetate
Names & synonyms
Methyl {(2S,4R)-1-[(1S)-5-(benzyloxy)-4-methyl-1-(3,3,3-trifluoropropyl)pent-2-yn-1-yl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl}acetateSCHEMBL13503515
Database identifiers
- PubChem CID
- 59201240
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 865
Related reactions
2 records
Compound notes
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