N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-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-(4-nitro-1H-pyrazol-1-yl)acetamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | D041-0226 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 434.37 |
| Molecular Formula: | C20 H14 N6 O6 |
| Smiles: | C(C(Nc1ccc(cc1)c1nc(c2ccc3c(c2)OCO3)on1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4062 |
| logD: | 3.4062 |
| logSw: | -3.5893 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 119.796 |
| InChI Key: | MTWQVSZLQZLMQG-UHFFFAOYSA-N |