1-methyl-5-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
Chemical Structure Depiction of
1-methyl-5-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
1-methyl-5-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole
Compound characteristics
| Compound ID: | G944-0081 |
| Compound Name: | 1-methyl-5-[5-(2-methyl-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazole |
| Molecular Weight: | 336.31 |
| Molecular Formula: | C16 H12 N6 O3 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)c1nc(c2ccc3c(c2)nnn3C)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.2907 |
| logD: | 3.2907 |
| logSw: | -3.7447 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 90.708 |
| InChI Key: | AHGPVIRAXIECOM-UHFFFAOYSA-N |