N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3375 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C21 H17 N5 O4 |
| Smiles: | COc1ccccc1CNc1ccc(cc1[N+]([O-])=O)c1nc(c2ccncc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.299 |
| logD: | 4.2989 |
| logSw: | -4.3355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.32 |
| InChI Key: | YKXRIRZDBNMTIV-UHFFFAOYSA-N |