1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
Chemical Structure Depiction of
1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0269 |
| Compound Name: | 1-ethyl-5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole |
| Molecular Weight: | 350.33 |
| Molecular Formula: | C17 H14 N6 O3 |
| Smiles: | CCn1c2ccc(cc2nn1)c1nc(c2ccc(c(C)c2)[N+]([O-])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.8631 |
| logD: | 3.8631 |
| logSw: | -4.0546 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.147 |
| InChI Key: | IBIDAJNSWIVCLD-UHFFFAOYSA-N |