N-benzyl-N-methyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-benzyl-N-methyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
N-benzyl-N-methyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-3339 |
| Compound Name: | N-benzyl-N-methyl-2-nitro-4-[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | CN(Cc1ccccc1)c1ccc(cc1[N+]([O-])=O)c1nc(c2ccncc2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.2087 |
| logD: | 4.2086 |
| logSw: | -4.3335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 76.807 |
| InChI Key: | JBHBUKGOLUTQGD-UHFFFAOYSA-N |