Basic information
- Standard SMILES
CCCCc1nc(CO)c(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccccc1Cl- InChIKey
RDEFTRRLXNOBQP-GHRIWEEISA-N- Molecular formula
- C23H25ClN2O3S
- Average molar mass
- 445 g/mol
Names & identifiers
- Preferred name
- (E)-3-[2-n-Butyl-1-[(2-chlorophenyl)methyl]-4-hydroxymethyl-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
- IUPAC
- (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-5-(hydroxymethyl)imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid
Names & synonyms
SCHEMBL7268126RDEFTRRLXNOBQP-GHRIWEEISA-N(E)-3-[2-n-Butyl-1-[(2-chlorophenyl)methyl]-4-hydroxymethyl-1H-imidazol-5-yl]-2-(2-thienyl)methyl-2-propenoic acid
Database identifiers
- PubChem CID
- 70041240
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 591
Related reactions
2 records
Compound notes
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