TL;DR: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide (CAS 303102-66-1) is a chemical compound with molecular formula C21H23N5O3S and molecular weight 425.15216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
Also Known As: 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide, (E)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-methoxybenzylidene)acetohydrazide, 2-((4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N'-((E)-(4-methoxyphenyl)methylidene)acetohydrazide, 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C21H23N5O3S |
| Molecular Weight | 425.15216 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 425.15216 Da |
| Heavy Atoms | 30 |
| Complexity | 551.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC |
| InChIKey | OVAGDLGJVHUEHH-LPYMAVHISA-N |
The XLogP value of 3.2 indicates that 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide is 303102-66-1.
The molecular formula of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide is C21H23N5O3S.
The molecular weight of 2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-methoxyphenyl)methylidene]acetohydrazide is 425.15216 g/mol.
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