TL;DR: 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide (CAS 1030912-35-6) is a chemical compound with molecular formula C27H25ClFN3O3S and molecular weight 525.1289 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide
Also Known As: 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide, 2-{1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}-N-(3-ethoxyphenyl)acetamide, 2-(1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxoimidazolidin-4-yl)-N-(3-ethoxyphenyl)acetamide
| Molecular Formula | C27H25ClFN3O3S |
| Molecular Weight | 525.1289 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 94.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 525.1289 Da |
| Heavy Atoms | 36 |
| Complexity | 773.0 |
| SMILES | CCOC1=CC=CC(=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl |
| InChIKey | PBQCBHFPAJXLTK-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)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-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)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-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide is 1030912-35-6.
The molecular formula of 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide is C27H25ClFN3O3S.
The molecular weight of 2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(3-ethoxyphenyl)acetamide is 525.1289 g/mol.
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