2-Phenyl-3-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoic acid
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Basic information
- Standard SMILES
O=C(O)C(Cc1c(I)cc(I)c(N2CCCCC2=O)c1I)c1ccccc1- InChIKey
PIFQFCTZMBOIEP-UHFFFAOYSA-N- Molecular formula
- C20H18I3NO3
- Average molar mass
- 701.1 g/mol
- Monoisotopic mass
- 700.8421
Names & identifiers
- Preferred name
- 2-Phenyl-3-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoic acid
- IUPAC
- 2-phenyl-3-[2,4,6-triiodo-3-(2-oxopiperidin-1-yl)phenyl]propanoic acid
Database identifiers
- PubChem CID
- 210847
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 541
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Compound notes
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