Basic information
- Standard SMILES
CCOC(=O)c1cnc2c(F)ccc(F)c2c1Sc1cccc(C(F)(F)F)c1- InChIKey
CFNDXJQYXJCRJZ-UHFFFAOYSA-N- Molecular formula
- C19H12F5NO2S
- Average molar mass
- 413.4 g/mol
Names & identifiers
- Preferred name
- 3-Ethoxycarbonyl-5,8-difluoro-4-(3-trifluoromethylphenylmercapto)quinoline
- IUPAC
- ethyl 5,8-difluoro-4-[3-(trifluoromethyl)phenyl]sulfanylquinoline-3-carboxylate
Names & synonyms
3-Ethoxycarbonyl-5,8-difluoro-4-(3-trifluoromethylphenylmercapto)quinolineSCHEMBL8884112CCG-235055BRD-K93121839-001-01-2
Database identifiers
- PubChem CID
- 2801018
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
2 records
Compound notes
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