Ati 2042
Basic information
- CAS
270587-33-2- Standard SMILES
CCC(C)OC(=O)Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1- InChIKey
ZXOSVKYCXLTVGS-UHFFFAOYSA-N- Molecular formula
- C27H31I2NO5
- Average molar mass
- 703.3 g/mol
- Monoisotopic mass
- 703.02917
Names & identifiers
- Preferred name
- Ati 2042
- IUPAC
- butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate
Names & synonyms
ATI 2042270587-33-2RefChem:916446butan-2-yl 2-[3-[4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl]-1-benzofuran-2-yl]acetate(S)-ATI 2042SCHEMBL1946428DTXSID70949816SB19328DB-068843Butan-2-yl (3-{4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl}-1-benzofuran-2-yl)acetate
Database identifiers
- CAS
270587-33-2- PubChem CID
- 216299
- DTXSID
DTXSID70949816- Nikkaji
- J1.523.653A
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 678
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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