2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole
Chemical Structure Depiction of
2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole
2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | 6937-0096 |
| Compound Name: | 2-(2-methoxyphenyl)-5-[(1-methyl-3-nitro-1H-1,2,4-triazol-5-yl)sulfanyl]-1,3,4-oxadiazole |
| Molecular Weight: | 334.31 |
| Molecular Formula: | C12 H10 N6 O4 S |
| Smiles: | Cn1c(nc(n1)[N+]([O-])=O)Sc1nnc(c2ccccc2OC)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.4861 |
| logD: | 1.4861 |
| logSw: | -2.2386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 94.929 |
| InChI Key: | KIXAQAHEYFGFQB-UHFFFAOYSA-N |