TL;DR: Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- (CAS 1012481-71-8) is a chemical compound with molecular formula C22H18N6OS and molecular weight 414.12628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-phenyldiazenylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]-, N-(4-phenyldiazenylphenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C22H18N6OS |
| Molecular Weight | 414.12628 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.12628 Da |
| Heavy Atoms | 30 |
| Complexity | 556.0 |
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)N=NC4=CC=CC=C4 |
| InChIKey | RWAUOZGWHWUJAK-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]-. Following Lipinski's Rule of Five, Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- is 1012481-71-8.
The molecular formula of Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- is C22H18N6OS.
The molecular weight of Acetamide, N-[4-(2-phenyldiazenyl)phenyl]-2-[(3-phenyl-1H-1,2,4-triazol-5-yl)thio]- is 414.12628 g/mol.
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