4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Chemical Structure Depiction of
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline
Compound characteristics
| Compound ID: | D349-2632 |
| Compound Name: | 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(pyridin-3-yl)methyl]aniline |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | COc1ccc(cc1)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCc2cccnc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.0814 |
| logD: | 4.0684 |
| logSw: | -4.1208 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.323 |
| InChI Key: | KMWJXDQPYRQPNG-UHFFFAOYSA-N |