TL;DR: ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CAS 431926-69-1) is a chemical compound with molecular formula C24H21ClN2O4S and molecular weight 468.09106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(5E)-5-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Also Known As: ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate, (E)-ethyl 2-(5-((1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl)methylene)-2,4-dioxothiazolidin-3-yl)acetate, ethyl 2-[(5E)-5-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
| Molecular Formula | C24H21ClN2O4S |
| Molecular Weight | 468.09106 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 93.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.09106 Da |
| Heavy Atoms | 32 |
| Complexity | 775.0 |
| SMILES | CCOC(=O)CN1C(=O)/C(=C\C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4Cl)C)/SC1=O |
| InChIKey | XMFXNQKUXQTKPT-CIAFOILYSA-N |
The XLogP value of 5.4 indicates that ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate. Following Lipinski's Rule of Five, ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 431926-69-1.
The molecular formula of ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is C24H21ClN2O4S.
The molecular weight of ethyl [(5E)-5-{[1-(2-chlorobenzyl)-2-methyl-1H-indol-3-yl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is 468.09106 g/mol.
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