Basic information
- CAS
270587-30-9- Standard SMILES
CCOC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1- InChIKey
AMQAFADFGYPICD-UHFFFAOYSA-N- Molecular formula
- C25H27I2NO5
- Average molar mass
- 675.3 g/mol
- Monoisotopic mass
- 674.99787
Names & identifiers
- Preferred name
- Ethyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-2-benzofuranacetate
- IUPAC
- ethyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Names & synonyms
ATI 2010270587-30-9Ethyl 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-2-benzofuranacetateethyl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetateDTXSID109498152-Benzofuranacetic acid, 3-(4-(2-(diethylamino)ethoxy)-3,5-diiodobenzoyl)-, ethyl esterethyl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate
Database identifiers
- CAS
270587-30-9- PubChem CID
- 216321
- DTXSID
DTXSID10949815- Nikkaji
- J1.523.652C
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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