TL;DR: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide (CAS 1024597-66-7) is a chemical compound with molecular formula C27H25ClFN3O2S and molecular weight 509.134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-(3-(4-chlorophenethyl)-5-oxo-1-phenethyl-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{3-[2-(4-CHLOROPHENYL)ETHYL]-5-OXO-1-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
| Molecular Formula | C27H25ClFN3O2S |
| Molecular Weight | 509.134 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.134 Da |
| Heavy Atoms | 35 |
| Complexity | 734.0 |
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C(N(C2=S)CCC3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F |
| InChIKey | WLSWYSBYLZBUAU-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-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-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-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-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 1024597-66-7.
The molecular formula of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is C27H25ClFN3O2S.
The molecular weight of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 509.134 g/mol.
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