N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-2877 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C25 H24 N4 O6 |
| Smiles: | Cc1ccc(CNc2ccc(cc2[N+]([O-])=O)c2nc(c3cc(c(c(c3)OC)OC)OC)no2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2325 |
| logD: | 5.2325 |
| logSw: | -5.1325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.239 |
| InChI Key: | UOUJSNJJYHELIP-UHFFFAOYSA-N |