5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-benzotriazole
Chemical Structure Depiction of
5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-benzotriazole
5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0419 |
| Compound Name: | 5-[5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1-propyl-1H-benzotriazole |
| Molecular Weight: | 364.36 |
| Molecular Formula: | C18 H16 N6 O3 |
| Smiles: | CCCn1c2ccc(cc2nn1)c1nc(c2ccc(c(C)c2)[N+]([O-])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.4438 |
| logD: | 4.4438 |
| logSw: | -4.4024 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.401 |
| InChI Key: | MLXZNOMAWQYMNK-UHFFFAOYSA-N |