AC1LXM7C
3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
Also Known As: 3-((E)-((Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxothiazolidin-2-ylidene)amino)benzoic acid|3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid|3-{[(2E,5Z)-5-(3-bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino}benzoic acid
| Molecular Formula | C21H19BrN2O5S |
|---|---|
| Molecular Weight | 490.0198 g/mol |
| LogP | 4.8755 |
| Topological Polar Surface Area | 99.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.0198 |
| Monoisotopic Mass | 490.0198 |
| Heavy Atoms | 30 |
| Complexity | 1067.3574 |
Chemical Identifiers
| CAS Number | 690990-92-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)OCC)/SC1=NC3=CC=CC(=C3)C(=O)O |
Product Overview
AC1LXM7C (CAS 690990-92-2), with molecular formula C21H19BrN2O5S and molecular weight 490.0198 g/mol. IUPAC: 3-[[(5Z)-5-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid.
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