N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | D041-0240 |
| Compound Name: | N-(4-{5-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl}phenyl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 464.44 |
| Molecular Formula: | C22 H20 N6 O6 |
| Smiles: | COc1ccc(Cc2nc(c3ccc(cc3)NC(Cn3cc(cn3)[N+]([O-])=O)=O)no2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1925 |
| logD: | 3.1925 |
| logSw: | -3.4756 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.607 |
| InChI Key: | ISWXYKXURJMLNB-UHFFFAOYSA-N |