N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide
N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V029-4408 |
| Compound Name: | N-{2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl}-3-nitrobenzamide |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C23 H26 N4 O7 |
| Salt: | not_available |
| Smiles: | CCC(C)C(c1nc(c2cc(c(c(c2)OC)OC)OC)no1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5943 |
| logD: | 4.5941 |
| logSw: | -4.4013 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.041 |
| InChI Key: | WBEAODRTSPOHHB-UHFFFAOYSA-N |