TL;DR: 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide (CAS 1039307-03-3) is a chemical compound with molecular formula C27H26FN3O5S and molecular weight 523.1577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C27H26FN3O5S |
| Molecular Weight | 523.1577 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 523.1577 Da |
| Heavy Atoms | 37 |
| Complexity | 803.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CC3=CC(=C(C=C3)OC)OC)CC(=O)NC4=CC=C(C=C4)F |
| InChIKey | RAOPVSYRXDVCBE-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-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 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 1039307-03-3.
The molecular formula of 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is C27H26FN3O5S.
The molecular weight of 2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide is 523.1577 g/mol.
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