5-(N-allylacetamido)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
Basic information
- Standard SMILES
C=CCN(C(C)=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I- InChIKey
ZEYDSOBTJRHTLH-UHFFFAOYSA-N- Molecular formula
- C19H24I3N3O7
- Average molar mass
- 787.1 g/mol
Names & identifiers
- Preferred name
- 5-(N-allylacetamido)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
- IUPAC
- 5-[acetyl(prop-2-enyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Names & synonyms
SCHEMBL2763457ZEYDSOBTJRHTLH-UHFFFAOYSA-N5-(N-allylacetamido)-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide
Database identifiers
- PubChem CID
- 59622893
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 632
Related reactions
2 records
Compound notes
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