TL;DR: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride (CAS 128433-38-5) is a chemical compound with molecular formula C21H20Cl3N3O2S and molecular weight 483.03418 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(1-ethylimidazol-2-yl)sulfanyl-N-methylacetamide;hydrochloride
Also Known As: Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride, N-Methyl-2'-orthochlorobenzoyl-4'-chloro-2-(1-ethyl-2-imidazolyl)thioacetanilide hydrochloride, N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-(1-ethylimidazol-2-yl)sulfanyl-N-methylacetamide hydrochloride, N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[(1-ethyl-1H-imidazol-2-yl)sulfanyl]-N-methylacetamide--hydrogen chloride (1/1)
| Molecular Formula | C21H20Cl3N3O2S |
| Molecular Weight | 483.03418 g/mol |
| XLogP | 5.6177 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.03418 Da |
| Heavy Atoms | 30 |
| Complexity | 582.0 |
| SMILES | CCN1C=CN=C1SCC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl.Cl |
| InChIKey | SLPUEIFOSJQHNF-UHFFFAOYSA-N |
The XLogP value of 5.6177 indicates that Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride. Following Lipinski's Rule of Five, Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is 128433-38-5.
The molecular formula of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is C21H20Cl3N3O2S.
The molecular weight of Acetamide, N-(4-chloro-2-(2-chlorobenzoyl)phenyl)-2-((1-ethyl-1H-imidazol-2-yl)thio)-N-methyl-, monohydrochloride is 483.03418 g/mol.
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