3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-({4-[(piperidin-1-yl)methyl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-({4-[(piperidin-1-yl)methyl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-({4-[(piperidin-1-yl)methyl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | 8018-4210 |
| Compound Name: | 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-N-({4-[(piperidin-1-yl)methyl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 425.45 |
| Molecular Formula: | C20 H23 N7 O4 |
| Smiles: | C1CCN(CC1)Cc1ccc(CNC(c2nc(Cn3cc(cn3)[N+]([O-])=O)no2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3462 |
| logD: | -0.8386 |
| logSw: | -2.1648 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.211 |
| InChI Key: | MLGVPCOCHDZAPM-UHFFFAOYSA-N |