TL;DR: Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- (CAS 1182520-73-5) is a chemical compound with molecular formula C20H22N6O2S and molecular weight 410.1525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
Also Known As: Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]-, 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyldiazenylphenyl)acetamide
| Molecular Formula | C20H22N6O2S |
| Molecular Weight | 410.1525 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.1525 Da |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
| SMILES | CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)N=NC3=CC=CC=C3 |
| InChIKey | MKVUHODILSSPNH-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]-. Following Lipinski's Rule of Five, Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- has 2 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 Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- is 1182520-73-5.
The molecular formula of Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- is C20H22N6O2S.
The molecular weight of Acetamide, 2-[(4-butyl-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-[4-(2-phenyldiazenyl)phenyl]- is 410.1525 g/mol.
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