TL;DR: N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide (CAS 361165-17-5) is a chemical compound with molecular formula C21H23N5O2S and molecular weight 409.15726 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N'-[(E)-(2-ethoxyphenyl)methylidene]-2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide, N'-(2-ETHOXYBENZYLIDENE)-2-((4-ET-5-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETOHYDRAZIDE, N'-(2-Ethoxybenzylidene)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, (E)-N'-(2-ethoxybenzylidene)-2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 655-294-9
| Molecular Formula | C21H23N5O2S |
| Molecular Weight | 409.15726 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.15726 Da |
| Heavy Atoms | 29 |
| Complexity | 529.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CC=C2OCC)C3=CC=CC=C3 |
| InChIKey | QWQFEDNZHLWYDI-HYARGMPZSA-N |
The XLogP value of 3.5 indicates that N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide. Following Lipinski's Rule of Five, N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide is 361165-17-5.
The molecular formula of N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide is C21H23N5O2S.
The molecular weight of N'-(2-Ethoxybenzylidene)-2-((4-ET-5-PH-4H-1,2,4-triazol-3-YL)thio)acetohydrazide is 409.15726 g/mol.
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