4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | D349-2774 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCc2cccnc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7215 |
| logD: | 3.7084 |
| logSw: | -3.8374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.04 |
| InChI Key: | JZOKTFOUJFLJDL-UHFFFAOYSA-N |