Diethyl acetamido[(2-bromo-3,4-dimethoxyphenyl)methyl]propanedioate
Basic information
- CAS
5456-13-3- Standard SMILES
CCOC(=O)C(Cc1ccc(OC)c(OC)c1Br)(NC(C)=O)C(=O)OCC- InChIKey
ALUUJOBUGSMFQC-UHFFFAOYSA-N- Molecular formula
- C18H24BrNO7
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.07361
Names & identifiers
- Preferred name
- Diethyl acetamido[(2-bromo-3,4-dimethoxyphenyl)methyl]propanedioate
- IUPAC
- diethyl 2-acetamido-2-[(2-bromo-3,4-dimethoxyphenyl)methyl]propanedioate
Names & synonyms
5456-13-3NSC7504DTXSID60278465NSC-7504Diethyl acetamido[(2-bromo-3,4-dimethoxyphenyl)methyl]propanedioate
Database identifiers
- CAS
5456-13-3- PubChem CID
- 222145
- DTXSID
DTXSID60278465
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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