N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2769 |
| Compound Name: | N-benzyl-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 432.43 |
| Molecular Formula: | C23 H20 N4 O5 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCc2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9492 |
| logD: | 4.9492 |
| logSw: | -4.7668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.522 |
| InChI Key: | SIOZNLMTCMRUEY-UHFFFAOYSA-N |