AC1NQDIG
dimethyl 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: 7-Hydroxy-8-phenylazo-[1]naphthoesaeure|7-hydroxy-8-phenylazo-[1]naphthoic acid|dimethyl 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate|N-[2,5-Bis(methoxycarbonyl)phenyl]-2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanimidic acid|N-[2,5-Bis(methoxycarbonyl)phenyl]{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanimidic acid
| Molecular Formula | C20H16BrN3O6S |
|---|---|
| Molecular Weight | 504.99432 g/mol |
| LogP | 3.8031 |
| Topological Polar Surface Area | 120.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.99432 |
| Monoisotopic Mass | 504.99432 |
| Heavy Atoms | 31 |
| Complexity | 1116.3579 |
Chemical Identifiers
| CAS Number | 5385-91-1 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)Br |
Product Overview
AC1NQDIG (CAS 5385-91-1), with molecular formula C20H16BrN3O6S and molecular weight 504.99432 g/mol. IUPAC: dimethyl 2-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate.
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