TL;DR: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide (CAS 1031207-97-2) is a chemical compound with molecular formula C26H20ClF4N3O2S and molecular weight 549.0901 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-(3-(4-chlorophenethyl)-5-oxo-2-thioxo-1-(3-(trifluoromethyl)phenyl)imidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-[3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{3-[2-(4-CHLOROPHENYL)ETHYL]-5-OXO-2-SULFANYLIDENE-1-[3-(TRIFLUOROMETHYL)PHENYL]IMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
| Molecular Formula | C26H20ClF4N3O2S |
| Molecular Weight | 549.0901 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.0901 Da |
| Heavy Atoms | 37 |
| Complexity | 831.0 |
| SMILES | C1=CC(=CC(=C1)N2C(=O)C(N(C2=S)CCC3=CC=C(C=C3)Cl)CC(=O)NC4=CC=C(C=C4)F)C(F)(F)F |
| InChIKey | PRPUNPWCTXUGFX-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 1031207-97-2.
The molecular formula of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is C26H20ClF4N3O2S.
The molecular weight of 2-{3-[2-(4-chlorophenyl)ethyl]-5-oxo-2-thioxo-1-[3-(trifluoromethyl)phenyl]imidazolidin-4-yl}-N-(4-fluorophenyl)acetamide is 549.0901 g/mol.
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