4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-2-nitroaniline
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-2-nitroaniline
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2807 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-2-nitroaniline |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C24 H22 N4 O6 |
| Smiles: | COc1ccccc1CNc1ccc(cc1[N+]([O-])=O)c1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.1705 |
| logD: | 5.1705 |
| logSw: | -5.1812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.153 |
| InChI Key: | CFJLYQCMCNSWKI-UHFFFAOYSA-N |