2,2-Dimethylpropyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)2-benzofuranacetate
Basic information
- CAS
345267-16-5- Standard SMILES
CCN(CC)CCOc1c(I)cc(C(=O)c2c(CC(=O)OCC(C)(C)C)oc3ccccc23)cc1I- InChIKey
CUQPCYVDLBUFHA-UHFFFAOYSA-N- Molecular formula
- C28H33I2NO5
- Average molar mass
- 717.4 g/mol
- Monoisotopic mass
- 717.04482
Names & identifiers
- Preferred name
- 2,2-Dimethylpropyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)2-benzofuranacetate
- IUPAC
- 2,2-dimethylpropyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Names & synonyms
2,2-Dimethylpropyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)2-benzofuranacetate345267-16-5ATI 20542,2-dimethylpropyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetateATI-2054DTXSID80956051ATI 2054, ATI2054, ATI-20542,2-Dimethylpropyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate2-Benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, 2,2-dimethylpropyl ester
Database identifiers
- CAS
345267-16-5- PubChem CID
- 216302
- DTXSID
DTXSID80956051- Nikkaji
- J1.523.654J
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 713
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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