AC1OBN5U
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-nitrophenyl)allylidene)acetohydrazide|2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide|2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-nitrophenyl)prop-2-en-1-ylidene]acetohydrazide
| Molecular Formula | C27H24N6O5S |
|---|---|
| Molecular Weight | 544.1529 g/mol |
| LogP | 4.7672 |
| Topological Polar Surface Area | 133.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 544.1529 |
| Monoisotopic Mass | 544.1529 |
| Heavy Atoms | 39 |
| Complexity | 1500.1038 |
Chemical Identifiers
| CAS Number | 406464-80-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C=C/C4=CC=CC=C4[N+](=O)[O-] |
Product Overview
AC1OBN5U (CAS 406464-80-0), with molecular formula C27H24N6O5S and molecular weight 544.1529 g/mol. IUPAC: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
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