N-[1-(4-methylphenyl)ethyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-[1-(4-methylphenyl)ethyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
N-[1-(4-methylphenyl)ethyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3099 |
| Compound Name: | N-[1-(4-methylphenyl)ethyl]-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C22 H19 N5 O3 |
| Smiles: | CC(c1ccc(C)cc1)Nc1ccc(cc1[N+]([O-])=O)c1nc(c2cccnc2)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7162 |
| logD: | 4.661 |
| logSw: | -4.2379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.942 |
| InChI Key: | AGSSQJSVUVEWOL-HNNXBMFYSA-N |