AC1LUGA1
4-[[2-[(5E)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
Also Known As: F1103-0027|(E)-4-(2-(5-(3-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)benzoic acid|4-{2-[(5E)-5-[(3-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETAMIDO}BENZOIC ACID|4-[[2-[(5E)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid|4-(2-(5-(3-Methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetamido)benzoic acid|4-(2-{5-[(3-methoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acety lamino)benzoic acid
| Molecular Formula | C20H16N2O5S2 |
|---|---|
| Molecular Weight | 428.05005 g/mol |
| LogP | 3.2333 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.05005 |
| Monoisotopic Mass | 428.05005 |
| Heavy Atoms | 29 |
| Complexity | 1017.78656 |
Chemical Identifiers
| CAS Number | 469876-25-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
AC1LUGA1 (CAS 469876-25-3), with molecular formula C20H16N2O5S2 and molecular weight 428.05005 g/mol. IUPAC: 4-[[2-[(5E)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid.
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