TL;DR: 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)- (CAS 132411-95-1) is a chemical compound with molecular formula C15H14N4O4S and molecular weight 346.07358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4,5-dioxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]piperazine-2,3-dione
Also Known As: 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-, 1-(2-(4,5-Dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-2,3-piperazinedione, 3-(beta-(2',3'-Diketopiperazine)ethylene)-1-phenyl-2-thioxo-4,5-imidazolidinedione, 1-[2-(4,5-dioxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]piperazine-2,3-dione
| Molecular Formula | C15H14N4O4S |
| Molecular Weight | 346.07358 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.07358 Da |
| Heavy Atoms | 24 |
| Complexity | 602.0 |
| SMILES | C1CN(C(=O)C(=O)N1)CCN2C(=O)C(=O)N(C2=S)C3=CC=CC=C3 |
| InChIKey | RCCXICKUXQFTMX-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)-. Following Lipinski's Rule of Five, 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)- is 132411-95-1.
The molecular formula of 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)- is C15H14N4O4S.
The molecular weight of 2,3-Piperazinedione, 1-(2-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)ethyl)- is 346.07358 g/mol.
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