TL;DR: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- (CAS 125766-43-0) is a chemical compound with molecular formula C20H17FN4O5S and molecular weight 444.09036 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Also Known As: 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)-, 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione, 2-(4-Ethoxy-3,5-dimethoxyphenyl)-6-(4-fluorophenyl)-5H-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7(6H)-dione, BRN 6016965
| Molecular Formula | C20H17FN4O5S |
| Molecular Weight | 444.09036 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.09036 Da |
| Heavy Atoms | 31 |
| Complexity | 759.0 |
| SMILES | CCOC1=C(C=C(C=C1OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)F)S2)OC |
| InChIKey | BTFGWGDIYVYBQM-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)-. Following Lipinski's Rule of Five, 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- is 125766-43-0.
The molecular formula of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- is C20H17FN4O5S.
The molecular weight of 5H-(1,3,4)Thiadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(4-fluorophenyl)- is 444.09036 g/mol.
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