N-ethyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-ethyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-ethyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2404 |
| Compound Name: | N-ethyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 324.34 |
| Molecular Formula: | C17 H16 N4 O3 |
| Smiles: | CCNc1ccc(cc1[N+]([O-])=O)c1nc(c2cccc(C)c2)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6161 |
| logD: | 4.6161 |
| logSw: | -4.417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.159 |
| InChI Key: | XGQPTWROHDGKGT-UHFFFAOYSA-N |