ethyl 1-methyl-5-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-5-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3-carboxylate
ethyl 1-methyl-5-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-8773 |
| Compound Name: | ethyl 1-methyl-5-(3-{4-[2-(4-nitro-1H-pyrazol-1-yl)acetamido]phenyl}-1,2,4-oxadiazol-5-yl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 466.41 |
| Molecular Formula: | C20 H18 N8 O6 |
| Smiles: | CCOC(c1cc(c2nc(c3ccc(cc3)NC(Cn3cc(cn3)[N+]([O-])=O)=O)no2)n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1793 |
| logD: | 2.1793 |
| logSw: | -2.8682 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.95 |
| InChI Key: | ROPFRDRGQJOBPB-UHFFFAOYSA-N |