3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-5219 |
| Compound Name: | 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 418.36 |
| Molecular Formula: | C17 H18 N6 O7 |
| Smiles: | COc1cc(CNC(c2nc(Cn3ccc(n3)[N+]([O-])=O)no2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 0.4846 |
| logD: | 0.4846 |
| logSw: | -2.2892 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 127.803 |
| InChI Key: | VWJZOMRDKCMQBC-UHFFFAOYSA-N |