Basic information
- Standard SMILES
CCC(Cc1cccc(NC(=O)c2c(I)cc(I)c(N=CN(C)C)c2I)c1)C(=O)O- InChIKey
KAPVDKIZHYQPKK-UHFFFAOYSA-N- Molecular formula
- C21H22I3N3O3
- Average molar mass
- 745.1 g/mol
- Monoisotopic mass
- 744.8795
Names & identifiers
- Preferred name
- 2-[[3-[[3-(Dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride
- IUPAC
- 2-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid
Names & synonyms
DTXSID4013847562-[[3-[[3-(dimethylaminomethylideneamino)-2,4,6-triiodobenzoyl]amino]phenyl]methyl]butanoic acid;hydrochloride
Database identifiers
- PubChem CID
- 64848
- DTXSID
DTXSID401384756
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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