AC1LWQIJ
ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_574357|Oprea1_750681|BAS 00379920|AH-262/34902012|ethyl 2-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate|ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate|ethyl 2-acetamido-6-bromo-7-(2-(4-nitrophenyl)-2-oxoethoxy)benzo[b]thiophene-3-carboxylate|ETHYL 6-BROMO-2-ACETAMIDO-7-[2-(4-NITROPHENYL)-2-OXOETHOXY]-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-(acetylamino)-6-bromo-7-(2-{4-nitrophenyl}-2-oxoethoxy)-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H17BrN2O7S |
|---|---|
| Molecular Weight | 519.99396 g/mol |
| LogP | 4.9688 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 519.99396 |
| Monoisotopic Mass | 519.99396 |
| Heavy Atoms | 32 |
| Complexity | 1221.1063 |
Chemical Identifiers
| CAS Number | 331275-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)NC(=O)C |
Product Overview
AC1LWQIJ (CAS 331275-47-9), with molecular formula C21H17BrN2O7S and molecular weight 519.99396 g/mol. IUPAC: ethyl 2-acetamido-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate.
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