4-(2,1,3-benzoxadiazol-4-yl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,1,3-benzoxadiazol-4-yl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-(2,1,3-benzoxadiazol-4-yl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8019-9890 |
| Compound Name: | 4-(2,1,3-benzoxadiazol-4-yl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C13 H9 N5 O S2 |
| Smiles: | C(c1nnc(n1c1cccc2c1non2)S)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 2.6388 |
| logD: | 1.4782 |
| logSw: | -2.8471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.241 |
| InChI Key: | FUKKBLLRBRGJEQ-UHFFFAOYSA-N |