CHEMBL4555781
4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid
Also Known As: J3.587.734G|AS-871/41508781|4-[(E)-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid|4-[(1E)-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl]benzoic acid|4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid|(E)-4-((2-(5-(ethoxycarbonyl)-4-methylthiazol-2-yl)hydrazono)methyl)benzoic acid|2-[2-(4-Carboxybenzylidene)hydrazino]-4-methylthiazole-5-carboxylic acid 5-ethyl ester|4-[[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic Acid|4-{2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]carbohydrazonoyl}benzoic acid|4-((1E)-2-{[5-(ethoxycarbonyl)-4-methyl(1,3-thiazol-2-yl)]amino}-2-azavinyl)be nzoic acid|4-({2-[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]hydrazin-1-ylidene}methyl)benzoic acid
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.07834 g/mol |
| LogP | 2.77242 |
| Topological Polar Surface Area | 100.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.07834 |
| Monoisotopic Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 737.6803 |
Chemical Identifiers
| CAS Number | 469877-18-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N/N=C/C2=CC=C(C=C2)C(=O)O)C |
Product Overview
CHEMBL4555781 (CAS 469877-18-7), with molecular formula C15H15N3O4S and molecular weight 333.07834 g/mol. IUPAC: 4-[(E)-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzoic acid.
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