N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3329 |
| Compound Name: | N-butyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)c1nc(c2ccncc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.176 |
| logD: | 4.1759 |
| logSw: | -4.1979 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.803 |
| InChI Key: | SEAUUBSULSEXJV-UHFFFAOYSA-N |