TL;DR: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide (CAS 1025059-40-8) is a chemical compound with molecular formula C29H30ClN3O3S and molecular weight 535.1696 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-ethoxyphenyl)acetamide
Also Known As: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide, 2-(3-(4-chlorophenethyl)-5-oxo-1-phenethyl-2-thioxoimidazolidin-4-yl)-N-(4-ethoxyphenyl)acetamide, 2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-phenethyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C29H30ClN3O3S |
| Molecular Weight | 535.1696 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 535.1696 Da |
| Heavy Atoms | 37 |
| Complexity | 761.0 |
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)CCC4=CC=CC=C4 |
| InChIKey | FFTKOTYAKDQZSM-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.0 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-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)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-ethoxyphenyl)acetamide is 1025059-40-8.
The molecular formula of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide is C29H30ClN3O3S.
The molecular weight of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)-2-thioxoimidazolidin-4-yl}-N-(4-ethoxyphenyl)acetamide is 535.1696 g/mol.
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