AC1OATFI
N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(1E,2Z)-2-chloro-3-phenylprop-2-en-1-ylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide|(E)-N'-((Z)-2-chloro-3-phenylallylidene)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide|N'-[(E,2Z)-2-chloro-3-phenyl-2-propenylidene]-2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetohydrazide|N-((3Z,1E)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-2-[5-(3,4-dimethoxyphenyl)- 4-phenyl(1,2,4-triazol-3-ylthio)]acetamide|N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C27H24ClN5O3S |
|---|---|
| Molecular Weight | 533.12885 g/mol |
| LogP | 5.4255 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.12885 |
| Monoisotopic Mass | 533.12885 |
| Heavy Atoms | 37 |
| Complexity | 1408.331 |
Chemical Identifiers
| CAS Number | 306756-96-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C(=C/C4=CC=CC=C4)/Cl)OC |
Product Overview
AC1OATFI (CAS 306756-96-7), with molecular formula C27H24ClN5O3S and molecular weight 533.12885 g/mol. IUPAC: N-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.