N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-4642 |
| Compound Name: | N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-butyl-3-nitrobenzamide |
| Molecular Weight: | 438.44 |
| Molecular Formula: | C22 H22 N4 O6 |
| Salt: | not_available |
| Smiles: | CCCCN(CCc1nc(c2ccc3c(c2)OCO3)no1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5222 |
| logD: | 4.5222 |
| logSw: | -4.2761 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 98.246 |
| InChI Key: | WGLMSHWJUOCQIP-UHFFFAOYSA-N |