Basic information
- Standard SMILES
Cc1cn(-c2ccc(/C=C(\CCCCl)C(=O)O)cc2F)cn1.O=C(O)C(F)(F)F- InChIKey
TWNCKMHXLKHRJL-FTPOTTDRSA-N- Molecular formula
- C18H17ClF4N2O4
- Average molar mass
- 436.8 g/mol
Names & identifiers
- Preferred name
- (E)-5-chloro-2-{1-[3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylidene]valeric acid trifluoroacetate
- IUPAC
- (2E)-5-chloro-2-[[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoic acid;2,2,2-trifluoroacetic acid
Names & synonyms
(E)-5-chloro-2-{1-[3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylidene]valeric acid trifluoroacetate(E)-5-chloro-2-{1-[3-fluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylidene}valeric acid trifluoroacetateSCHEMBL4323538
Database identifiers
- PubChem CID
- 69003182
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 502
Related reactions
4 records
Compound notes
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