4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(oxolan-2-yl)methyl]aniline
Chemical Structure Depiction of
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(oxolan-2-yl)methyl]aniline
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(oxolan-2-yl)methyl]aniline
Compound characteristics
| Compound ID: | D349-2756 |
| Compound Name: | 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-nitro-N-[(oxolan-2-yl)methyl]aniline |
| Molecular Weight: | 426.43 |
| Molecular Formula: | C21 H22 N4 O6 |
| Smiles: | COc1ccc(cc1OC)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCC2CCCO2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6981 |
| logD: | 3.6981 |
| logSw: | -4.0993 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.177 |
| InChI Key: | MEERSYTWOOLIJL-OAHLLOKOSA-N |