TL;DR: (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577767-89-6) is a chemical compound with molecular formula C24H20FN3O4 and molecular weight 433.1438 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-1-(4-fluorophenyl)-5-[[1-[2-(2-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(4-fluorophenyl)-5-[[1-[2-(2-methylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-fluorophenyl)-6-hydroxy-5-({1-[2-(2-methylphenoxy)ethyl]-1H-pyrrol-2-yl}methylidene)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C24H20FN3O4 |
| Molecular Weight | 433.1438 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 80.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.1438 Da |
| Heavy Atoms | 32 |
| Complexity | 750.0 |
| SMILES | CC1=CC=CC=C1OCCN2C=CC=C2/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F |
| InChIKey | UPFODPUXMHHFJO-HMMYKYKNSA-N |
The XLogP value of 3.5 indicates that (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 577767-89-6.
The molecular formula of (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is C24H20FN3O4.
The molecular weight of (E)-1-(4-fluorophenyl)-5-((1-(2-(o-tolyloxy)ethyl)-1H-pyrrol-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione is 433.1438 g/mol.
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