C21H18N8O5
2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-2-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoic acid|2-[(E)-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]benzoate
CAS: 587010-86-4
| Molecular Formula | C21H18N8O5 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 1.7603 |
| Topological Polar Surface Area | 183.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 462.14 |
| Monoisotopic Mass | 462.14 |
| Heavy Atoms | 34 |
| Complexity | 1359.7582 |
Chemical Identifiers
| CAS Number | 587010-86-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4C(=O)O |
Product Overview
C21H18N8O5 (CAS 587010-86-4), with molecular formula C21H18N8O5 and molecular weight 462.14 g/mol. IUPAC: 2-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-ethoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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