TL;DR: 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide (CAS 1024690-29-6) is a chemical compound with molecular formula C27H34FN3O3S and molecular weight 499.2305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-fluorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
Also Known As: 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide, 2-[1-(4-fluorophenyl)-3-heptyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide, 2-[1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
| Molecular Formula | C27H34FN3O3S |
| Molecular Weight | 499.2305 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 499.2305 Da |
| Heavy Atoms | 35 |
| Complexity | 693.0 |
| SMILES | CCCCCCCN1C(C(=O)N(C1=S)C2=CC=C(C=C2)F)CC(=O)NC3=CC=C(C=C3)OCCC |
| InChIKey | NMMVOJHWZLIEQN-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 2-(1-(4-fluorophenyl)-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-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide is 1024690-29-6.
The molecular formula of 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide is C27H34FN3O3S.
The molecular weight of 2-(1-(4-fluorophenyl)-3-heptyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-propoxyphenyl)acetamide is 499.2305 g/mol.
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