N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-benzyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-benzyl-3-nitrobenzamide
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-benzyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | V030-1117 |
| Compound Name: | N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-N-benzyl-3-nitrobenzamide |
| Molecular Weight: | 472.46 |
| Molecular Formula: | C25 H20 N4 O6 |
| Salt: | not_available |
| Smiles: | C(CN(Cc1ccccc1)C(c1cccc(c1)[N+]([O-])=O)=O)c1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6048 |
| logD: | 4.6048 |
| logSw: | -4.6461 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 97.996 |
| InChI Key: | JLUMGCFUDCFOLR-UHFFFAOYSA-N |