TL;DR: 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CAS 160414-21-1) is a chemical compound with molecular formula C16H14N4OS and molecular weight 310.08884 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, methyl 4-(6-phenyl-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]t
| Molecular Formula | C16H14N4OS |
| Molecular Weight | 310.08884 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.08884 Da |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
| SMILES | COC1=CC=C(C=C1)C2=NN=C3N2NC(S3)C4=CC=CC=C4 |
| InChIKey | AOJQVZPYOSQJAE-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 160414-21-1.
The molecular formula of 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is C16H14N4OS.
The molecular weight of 3-(4-methoxyphenyl)-6-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is 310.08884 g/mol.
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