2-nitro-N-[(oxolan-2-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Chemical Structure Depiction of
2-nitro-N-[(oxolan-2-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
2-nitro-N-[(oxolan-2-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
Compound characteristics
| Compound ID: | D349-2827 |
| Compound Name: | 2-nitro-N-[(oxolan-2-yl)methyl]-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline |
| Molecular Weight: | 456.45 |
| Molecular Formula: | C22 H24 N4 O7 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nc(c2ccc(c(c2)[N+]([O-])=O)NCC2CCCO2)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.558 |
| logD: | 3.558 |
| logSw: | -3.9086 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.894 |
| InChI Key: | UWTVNCOUOOYAQS-OAHLLOKOSA-N |