TL;DR: N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide (CAS 1041101-68-1) is a chemical compound with molecular formula C27H26ClN3O5S and molecular weight 539.1282 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
Also Known As: N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide, N-(4-chlorophenyl)-2-[3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl]acetamide, N-(4-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
| Molecular Formula | C27H26ClN3O5S |
| Molecular Weight | 539.1282 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.1282 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)Cl |
| InChIKey | OPIBTPKIWBDZRL-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)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 N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide. Following Lipinski's Rule of Five, N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide is 1041101-68-1.
The molecular formula of N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide is C27H26ClN3O5S.
The molecular weight of N-(4-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-(4-methoxyphenyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamide is 539.1282 g/mol.
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