AC1OBMXN
4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: (E)-4-((2-(2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoic acid|4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid|4-{(E)-[2-({[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
| Molecular Formula | C26H23N5O5S |
|---|---|
| Molecular Weight | 517.14197 g/mol |
| LogP | 3.8921 |
| Topological Polar Surface Area | 127.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.14197 |
| Monoisotopic Mass | 517.14197 |
| Heavy Atoms | 37 |
| Complexity | 1401.0603 |
Chemical Identifiers
| CAS Number | 406464-71-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C4=CC=C(C=C4)C(=O)O |
Product Overview
AC1OBMXN (CAS 406464-71-9), with molecular formula C26H23N5O5S and molecular weight 517.14197 g/mol. IUPAC: 4-[(E)-[[2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
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