N-benzyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-benzyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2627 |
| Compound Name: | N-benzyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 402.41 |
| Molecular Formula: | C22 H18 N4 O4 |
| Smiles: | COc1ccc(cc1)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCc2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.3091 |
| logD: | 5.3091 |
| logSw: | -5.3992 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.805 |
| InChI Key: | YCBUOIZITKHGEZ-UHFFFAOYSA-N |