N-tert-butyl-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-tert-butyl-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
N-tert-butyl-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3046 |
| Compound Name: | N-tert-butyl-2-nitro-4-[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | CC(C)(C)Nc1ccc(cc1[N+]([O-])=O)c1nc(c2cccnc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8337 |
| logD: | 3.7785 |
| logSw: | -3.8311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.875 |
| InChI Key: | FXVMRBICQOIXSG-UHFFFAOYSA-N |