TL;DR: 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide (CAS 1024020-69-6) is a chemical compound with molecular formula C25H20Cl2FN3O2S and molecular weight 515.0637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-[1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-(3-(4-chlorophenethyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide
| Molecular Formula | C25H20Cl2FN3O2S |
| Molecular Weight | 515.0637 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.0637 Da |
| Heavy Atoms | 34 |
| Complexity | 736.0 |
| SMILES | C1=CC(=CC=C1CCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F)Cl |
| InChIKey | UFIRLQPYSLLPGE-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 1024020-69-6.
The molecular formula of 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is C25H20Cl2FN3O2S.
The molecular weight of 2-{1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 515.0637 g/mol.
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