Basic information
- Standard SMILES
CCCCc1nc(SC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2C(=O)OC)cc1- InChIKey
HHXANPWQWSQKMC-UHFFFAOYSA-N- Molecular formula
- C26H30N2O4S
- Average molar mass
- 466.6 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-butyl-1-[[2'-(methoxycarbonyl)-(1,1'-biphenyl)-4-yl]-methyl]-4-(methylthio)-1H-imidazole-5-carboxylate
- IUPAC
- ethyl 2-butyl-3-[[4-(2-methoxycarbonylphenyl)phenyl]methyl]-5-methylsulfanylimidazole-4-carboxylate
Names & synonyms
SCHEMBL8823571HHXANPWQWSQKMC-UHFFFAOYSA-NEthyl 2-butyl-1-[[2'-(methoxycarbonyl)-(1,1'-biphenyl)-4-yl]-methyl]-4-(methylthio)-1H-imidazole-5-carboxylate
Database identifiers
- PubChem CID
- 21479063
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 625
Related reactions
6 records
Compound notes
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