Basic information
- Standard SMILES
CN(CC(O)CO)C(=O)c1c(I)c(C#N)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
RPGJWFUZYQXGDS-UHFFFAOYSA-N- Molecular formula
- C16H18I3N3O6
- Average molar mass
- 729.04 g/mol
Names & identifiers
- Preferred name
- 3-[N-(2,3-dihydroxypropyl)carbamoyl]-5-[N-(2,3-dihydroxypropyl)-N-methylcarbamoyl]-2,4,6-triiodobenzonitrile
- IUPAC
- 5-cyano-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-methylbenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL11292472RPGJWFUZYQXGDS-UHFFFAOYSA-N3-[N-(2,3-dihydroxypropyl)carbamoyl]-5-[N-(2,3-dihydroxypropyl)-N-methylcarbamoyl]-2,4,6-triiodobenzonitrile
Database identifiers
- PubChem CID
- 12940852
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 603
Related reactions
2 records
Compound notes
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