AC1M3BT1
4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 4-{[(2Z,5E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid|4-((Z)-((E)-3-ethyl-5-(4-methyl-3-nitrobenzylidene)-4-oxothiazolidin-2-ylidene)amino)benzoic acid|4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
| Molecular Formula | C20H17N3O5S |
|---|---|
| Molecular Weight | 411.0889 g/mol |
| LogP | 4.22532 |
| Topological Polar Surface Area | 113.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.0889 |
| Monoisotopic Mass | 411.0889 |
| Heavy Atoms | 29 |
| Complexity | 1060.2864 |
Chemical Identifiers
| CAS Number | 692265-84-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CC(=C(C=C2)C)[N+](=O)[O-])/SC1=NC3=CC=C(C=C3)C(=O)O |
Product Overview
AC1M3BT1 (CAS 692265-84-2), with molecular formula C20H17N3O5S and molecular weight 411.0889 g/mol. IUPAC: 4-[[(5E)-3-ethyl-5-[(4-methyl-3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
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