methyl 4-[({3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
methyl 4-[({3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | 8017-7761 |
| Compound Name: | methyl 4-[({3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate |
| Molecular Weight: | 386.32 |
| Molecular Formula: | C16 H14 N6 O6 |
| Smiles: | COC(c1ccc(CNC(c2nc(Cn3cc(cn3)[N+]([O-])=O)no2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9881 |
| logD: | 0.988 |
| logSw: | -2.1747 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.652 |
| InChI Key: | HCHYNBHRTGPTRI-UHFFFAOYSA-N |