Basic information
- Standard SMILES
CCCCc1ncc(/C=C(\Cc2cccs2)C(Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl- InChIKey
SNFZBXRPFMQVRK-RCCKNPSSSA-N- Molecular formula
- C28H29ClN2O2S2
- Average molar mass
- 525.1 g/mol
- Monoisotopic mass
- 524.1358982
Names & identifiers
- Preferred name
- (E)-4-[2-n-Butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-3-(2-thienyl)methyl-3-butenoic Acid
- IUPAC
- (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2,3-bis(thiophen-2-ylmethyl)but-3-enoic acid
Names & synonyms
SCHEMBL7278783SNFZBXRPFMQVRK-RCCKNPSSSA-N(E)-4-[2-n-Butyl-1-{(2-chlorophenyl)methyl}-1H-imidazol-5-yl]-2-(2-thienyl)methyl-3-(2-thienyl)methyl-3-butenoic Acid
Database identifiers
- PubChem CID
- 70044041
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 708
Related reactions
1 records
Compound notes
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