N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-4248 |
| Compound Name: | N-{1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl}-3-nitrobenzamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2ccc(cc2)OC)no1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0943 |
| logD: | 5.0941 |
| logSw: | -4.9289 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.606 |
| InChI Key: | GMDRZSYVRDLCDJ-UHFFFAOYSA-N |