N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-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-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-3728 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 372.29 |
| Molecular Formula: | C15 H12 N6 O6 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1nc(Cn2cc(cn2)[N+]([O-])=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8104 |
| logD: | 0.8104 |
| logSw: | -2.2004 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.594 |
| InChI Key: | YXBXZRWKYDQTRW-UHFFFAOYSA-N |