TL;DR: 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CAS 1031731-23-3) is a chemical compound with molecular formula C25H21Cl2N3O3S and molecular weight 513.06805 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
Also Known As: 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-[1-(4-chlorophenyl)-3-[(2-chlorophenyl)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide, 2-(3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C25H21Cl2N3O3S |
| Molecular Weight | 513.06805 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.06805 Da |
| Heavy Atoms | 34 |
| Complexity | 741.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CC3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl |
| InChIKey | FAPKGMJRSYQNKY-UHFFFAOYSA-N |
The XLogP value of 5.0 indicates that 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)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-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)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-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 1031731-23-3.
The molecular formula of 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is C25H21Cl2N3O3S.
The molecular weight of 2-[3-(2-chlorobenzyl)-1-(4-chlorophenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is 513.06805 g/mol.
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