Basic information
- Standard SMILES
CCCCc1ncc(/C=C(/C(=O)O)C(Cc2ccccc2)c2cccs2)n1Cc1ccccc1Cl- InChIKey
VBORJKBYUGUCOY-XIEYBQDHSA-N- Molecular formula
- C29H29ClN2O2S
- Average molar mass
- 505.1 g/mol
Names & identifiers
- Preferred name
- (E)-3-[2-n-Butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-[2-phenyl-1-(2-thienyl)ethyl]-2-propenoic Acid
- IUPAC
- (2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-phenyl-3-thiophen-2-ylbutanoic acid
Names & synonyms
CHEMBL338067SCHEMBL7279359VBORJKBYUGUCOY-XIEYBQDHSA-NBDBM50230107(E)-3-[2-n-Butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-[2-phenyl-1-(2-thienyl)ethyl]-2-propenoic Acid
Database identifiers
- PubChem CID
- 10074878
- ChEMBL
CHEMBL338067- Nikkaji
- J511.663E
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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