Basic information
- Standard SMILES
CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1Sc1cccc(C(F)(F)F)c1- InChIKey
ZVIFXBQCTIAXLA-UHFFFAOYSA-N- Molecular formula
- C20H13F6NO2S
- Average molar mass
- 445.4 g/mol
Names & identifiers
- Preferred name
- 3-Ethoxycarbonyl-4-(3-trifluoromethylphenylmercapto)-6-trifluoromethylquinoline
- IUPAC
- ethyl 6-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]sulfanylquinoline-3-carboxylate
Names & synonyms
3-Ethoxycarbonyl-4-(3-trifluoromethylphenylmercapto)-6-trifluoromethylquinolineSCHEMBL8884664
Database identifiers
- PubChem CID
- 54568173
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Related reactions
2 records
Compound notes
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