Basic information
- CAS
35245-21-7- Standard SMILES
CCC(=O)N(CC)c1c(I)c(C(=O)NCC(CC)C(=O)O)c(I)c(C(=O)N(CC)CC)c1I- InChIKey
BSKPDGFAFRGRTJ-UHFFFAOYSA-N- Molecular formula
- C22H30I3N3O5
- Average molar mass
- 797.2 g/mol
- Monoisotopic mass
- 796.932
Names & identifiers
- Preferred name
- Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-
- IUPAC
- 2-[[[3-(diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodobenzoyl]amino]methyl]butanoic acid
Names & synonyms
BRN 292793735245-21-7Butanoic acid, 2-(((3-((diethylamino)carbonyl)-5-(ethyl(1-oxopropyl)amino)-2,4,6-triiodobenzoyl)amino)methyl)-RefChem:330678DTXSID709566862-({[{3-(Diethylcarbamoyl)-5-[ethyl(propanoyl)amino]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}methyl)butanoic acid2-[({[3-(Diethylcarbamoyl)-5-(N-ethylpropanamido)-2,4,6-triiodophenyl](hydroxy)methylidene}amino)methyl]butanoic acid
Database identifiers
- CAS
35245-21-7- PubChem CID
- 215224
- DTXSID
DTXSID70956686
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 707
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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