Basic information
- Standard SMILES
CC(O)(C(=O)Nc1cccc2c1C(=O)c1ccccc1CO2)C(F)(F)F- InChIKey
MJKMUZHPUYMATG-UHFFFAOYSA-N- Molecular formula
- C18H14F3NO4
- Average molar mass
- 365.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropanoylamino)-6,11-dihydrodibenz[b,e]oxepin-11-one
- IUPAC
- 3,3,3-trifluoro-2-hydroxy-2-methyl-N-(11-oxo-6H-benzo[c][1]benzoxepin-1-yl)propanamide
Names & synonyms
1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropanoylamino)-6,11-dihydrodibenz[b,e]oxepin-11-oneSCHEMBL7831455
Database identifiers
- PubChem CID
- 19693048
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 567
Related reactions
2 records
Compound notes
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