N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-3-nitrobenzamide
N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | V027-4537 |
| Compound Name: | N-{1-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl}-3-nitrobenzamide |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C20 H18 N4 O6 |
| Salt: | not_available |
| Smiles: | CC(C)C(c1nc(c2ccc3c(c2)OCO3)no1)NC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5855 |
| logD: | 4.5855 |
| logSw: | -4.4311 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.178 |
| InChI Key: | MOJFAIKZUCRIRF-KRWDZBQOSA-N |