C21H17Cl2N9O3
N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)triazole-4-carboxamide
Also Known As: (E)-N-(3-(1-(2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)ethyl)phenyl)acetamide|N-{3-[(1E)-1-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenyl}acetamide
CAS: 577698-89-6
| Molecular Formula | C21H17Cl2N9O3 |
|---|---|
| Molecular Weight | 513.0831 g/mol |
| LogP | 3.3187 |
| Topological Polar Surface Area | 166.21 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.0831 |
| Monoisotopic Mass | 513.0831 |
| Heavy Atoms | 35 |
| Complexity | 1462.0039 |
Chemical Identifiers
| CAS Number | 577698-89-6 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC(=C(C=C3)Cl)Cl)/C4=CC(=CC=C4)NC(=O)C |
Product Overview
C21H17Cl2N9O3 (CAS 577698-89-6), with molecular formula C21H17Cl2N9O3 and molecular weight 513.0831 g/mol. IUPAC: N-[(E)-1-(3-acetamidophenyl)ethylideneamino]-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3,4-dichlorophenyl)triazole-4-carboxamide.
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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