methyl 4-[({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
methyl 4-[({3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl}amino)methyl]benzoate
Compound characteristics
| Compound ID: | 8018-0087 |
| Compound Name: | methyl 4-[({3-[(3-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(Cn3ccc(n3)[N+]([O-])=O)no2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7937 |
| logD: | 0.7937 |
| logSw: | -2.0763 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 125.999 |
| InChI Key: | OQKNJUIBNSMZPN-UHFFFAOYSA-N |