TL;DR: N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide (CAS 315184-06-6) is a chemical compound with molecular formula C26H24N6O6S and molecular weight 548.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(4-nitrophenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(4-nitrobenzylidene)-2-((4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-2-[4-phenyl-5-(3,4,5-trimethoxyphenyl)(1 ,2,4-triazol-3-ylthio)]acetamide, N-[(E)-(4-nitrophenyl)methylideneamino]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C26H24N6O6S |
| Molecular Weight | 548.1478 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 171.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.1478 Da |
| Heavy Atoms | 39 |
| Complexity | 805.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N/N=C/C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | HCPRHWDXINKEOG-JFLMPSFJSA-N |
The XLogP value of 4.3 indicates that N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 171.0 Ų indicates high polarity, suggesting N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 315184-06-6.
The molecular formula of N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is C26H24N6O6S.
The molecular weight of N'-[(E)-(4-nitrophenyl)methylidene]-2-{[4-phenyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide is 548.1478 g/mol.
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