TL;DR: 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide (CAS 1039100-84-9) is a chemical compound with molecular formula C27H34ClN3O3S and molecular weight 515.2009 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
Also Known As: 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide, 2-(1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide, 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
| Molecular Formula | C27H34ClN3O3S |
| Molecular Weight | 515.2009 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 515.2009 Da |
| Heavy Atoms | 35 |
| Complexity | 693.0 |
| SMILES | CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)OCCC |
| InChIKey | FBIYOIPRBILANE-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)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-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)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-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is 1039100-84-9.
The molecular formula of 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is C27H34ClN3O3S.
The molecular weight of 2-[1-(4-chlorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide is 515.2009 g/mol.
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