Basic information
- Standard SMILES
CCOC(=O)C1CCN(c2ncccc2C(F)(F)F)CCC1=O- InChIKey
BSBSOPQCYDTHSE-UHFFFAOYSA-N- Molecular formula
- C15H17F3N2O3
- Average molar mass
- 330.3 g/mol
Names & identifiers
- Preferred name
- 5-Oxo-1-(3-trifluoromethyl-pyridin-2-yl)-azepane-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-oxo-1-[3-(trifluoromethyl)-2-pyridinyl]azepane-4-carboxylate
Names & synonyms
5-oxo-1-(3-trifluoromethyl-pyridin-2-yl)-azepane-4-carboxylic acid ethyl esterSCHEMBL4193086
Database identifiers
- PubChem CID
- 58972784
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 59.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
5 records
Compound notes
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