N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8018-0123 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 448.39 |
| Molecular Formula: | C21 H16 N6 O6 |
| Smiles: | Cc1cc(nn1CC(Nc1ccc(cc1)c1nc(c2ccc3c(c2)OCO3)on1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.305 |
| logD: | 3.305 |
| logSw: | -3.5024 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.683 |
| InChI Key: | YQARLJLCTQWIJJ-UHFFFAOYSA-N |