Basic information
- Standard SMILES
COC(=O)CC1CC(OS(=O)(=O)C(F)(F)F)=Cc2ccccc2N1C(=O)C(F)(F)F- InChIKey
GTRYEQWUHNIEJZ-UHFFFAOYSA-N- Molecular formula
- C16H13F6NO6S
- Average molar mass
- 461.3 g/mol
Names & identifiers
- Preferred name
- Methyl (1-(trifluoroacetyl)-4-{[(trifluoromethyl)sulphonyl]oxy}-2,3-dihydro-1h-1-benzazepin-2-yl)acetate
- IUPAC
- methyl 2-[1-(2,2,2-trifluoroacetyl)-4-(trifluoromethylsulfonyloxy)-2,3-dihydro-1-benzazepin-2-yl]acetate
Names & synonyms
methyl (1-(trifluoroacetyl)-4-{[(trifluoromethyl)sulphonyl]oxy}-2,3-dihydro-1h-1-benzazepin-2-yl)acetate
Database identifiers
- PubChem CID
- 91577583
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 801
Related reactions
1 records
Compound notes
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