TL;DR: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide (CAS 378193-89-6) is a chemical compound with molecular formula C25H19ClF3N5O2S and molecular weight 545.09 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Also Known As: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide, (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-(trifluoromethyl)benzylidene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
| Molecular Formula | C25H19ClF3N5O2S |
| Molecular Weight | 545.09 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.09 Da |
| Heavy Atoms | 37 |
| Complexity | 763.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CC=C4C(F)(F)F |
| InChIKey | LIXPYCTYWSEVSH-AMVVHIIESA-N |
The XLogP value of 6.1 indicates that 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}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 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide is 378193-89-6.
The molecular formula of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide is C25H19ClF3N5O2S.
The molecular weight of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide is 545.09 g/mol.
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