N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-2832 |
| Compound Name: | N-butyl-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C21 H24 N4 O6 |
| Smiles: | CCCCNc1ccc(cc1[N+]([O-])=O)c1nc(c2cc(c(c(c2)OC)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.9075 |
| logD: | 4.9075 |
| logSw: | -4.7313 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.353 |
| InChI Key: | GLXJCWOYZNPPSS-UHFFFAOYSA-N |