TL;DR: 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione (CAS 788109-97-7) is a chemical compound with molecular formula C18H14ClF3N4O4 and molecular weight 442.06558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-aminopropanoyl)-1-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Also Known As: 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione
| Molecular Formula | C18H14ClF3N4O4 |
| Molecular Weight | 442.06558 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 442.06558 Da |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
| SMILES | C1C(=O)N(C(=O)N1N=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(F)(F)F)C(=O)CCN |
| InChIKey | PLZZXTMRLHRCPD-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione. Following Lipinski's Rule of Five, 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione is 788109-97-7.
The molecular formula of 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione is C18H14ClF3N4O4.
The molecular weight of 3-(3-Aminopropanoyl)-1-(((5-(4-chloro-3-(trifluoromethyl)phenyl)furan-2-yl)methylene)amino)imidazolidine-2,4-dione is 442.06558 g/mol.
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