AC1OC0VH
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(2-fluorobenzylidene)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(2-fluorophenyl)methylidene]-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
| Molecular Formula | C16H14FN11O2S |
|---|---|
| Molecular Weight | 443.10367 g/mol |
| LogP | 0.5563 |
| Topological Polar Surface Area | 167.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10367 |
| Monoisotopic Mass | 443.10367 |
| Heavy Atoms | 31 |
| Complexity | 1247.9167 |
Chemical Identifiers
| CAS Number | 849008-75-9 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4F |
Product Overview
AC1OC0VH (CAS 849008-75-9), with molecular formula C16H14FN11O2S and molecular weight 443.10367 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(2-fluorophenyl)methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.