TL;DR: methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate (CAS 1022923-93-8) is a chemical compound with molecular formula C23H24ClN3O5S and molecular weight 489.11252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[3-[2-(4-chlorophenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
Also Known As: methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate, methyl 2-(3-(4-chlorophenethyl)-4-(2-((4-methoxyphenyl)amino)-2-oxoethyl)-5-oxo-2-thioxoimidazolidin-1-yl)acetate, methyl 2-[3-[2-(4-chlorophenyl)ethyl]-4-[2-(4-methoxyanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
| Molecular Formula | C23H24ClN3O5S |
| Molecular Weight | 489.11252 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 489.11252 Da |
| Heavy Atoms | 33 |
| Complexity | 723.0 |
| SMILES | COC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=C(C=C3)Cl)CC(=O)OC |
| InChIKey | BAXXXMUCBIROGY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate. Following Lipinski's Rule of Five, methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate is 1022923-93-8.
The molecular formula of methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate is C23H24ClN3O5S.
The molecular weight of methyl (3-[2-(4-chlorophenyl)ethyl]-4-{2-[(4-methoxyphenyl)amino]-2-oxoethyl}-5-oxo-2-thioxoimidazolidin-1-yl)acetate is 489.11252 g/mol.
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