TL;DR: N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide (CAS 1042696-53-6) is a chemical compound with molecular formula C21H22ClN3O4S and molecular weight 447.10196 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide
Also Known As: N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide, N-(2-chlorophenyl)-2-(3-(3,4-dimethoxybenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamide, N-(2-chlorophenyl)-2-[3-(3,4-dimethoxybenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetamide, N-(2-CHLOROPHENYL)-2-{3-[(3,4-DIMETHOXYPHENYL)METHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDE
| Molecular Formula | C21H22ClN3O4S |
| Molecular Weight | 447.10196 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.10196 Da |
| Heavy Atoms | 30 |
| Complexity | 652.0 |
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC(=C(C=C2)OC)OC)CC(=O)NC3=CC=CC=C3Cl |
| InChIKey | YIXFDJHSFDKNOZ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide. Following Lipinski's Rule of Five, N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is 1042696-53-6.
The molecular formula of N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is C21H22ClN3O4S.
The molecular weight of N-(2-chlorophenyl)-2-[3-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetamide is 447.10196 g/mol.
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