N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8017-2079 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C17 H18 N6 O6 |
| Smiles: | COc1ccc(CCNC(c2nc(Cn3cc(cn3)[N+]([O-])=O)no2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.348 |
| logD: | 0.3479 |
| logSw: | -2.0971 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 120.581 |
| InChI Key: | JJQCCRYTGYMBLX-UHFFFAOYSA-N |