5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole
5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0111 |
| Compound Name: | 5-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C22 H17 N5 O S2 |
| Smiles: | C(c1ccccc1)c1nnc(n1c1ccccc1)SCc1nc(c2cccs2)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.109 |
| logD: | 5.109 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.05 |
| InChI Key: | BGBFOBWQKKDOJQ-UHFFFAOYSA-N |