N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-5441 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 386.32 |
| Molecular Formula: | C16 H14 N6 O6 |
| Smiles: | Cc1cc(nn1Cc1nc(C(NCc2ccc3c(c2)OCO3)=O)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8604 |
| logD: | 0.8604 |
| logSw: | -2.2895 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.481 |
| InChI Key: | QGMFKPZNWBXWQL-UHFFFAOYSA-N |