4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[7-(piperidin-1-yl)-2,1,3-benzoxadiazol-4-yl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[7-(piperidin-1-yl)-2,1,3-benzoxadiazol-4-yl]-1,2-oxazole-3-carboxamide
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[7-(piperidin-1-yl)-2,1,3-benzoxadiazol-4-yl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0828 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-N-[7-(piperidin-1-yl)-2,1,3-benzoxadiazol-4-yl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 480.48 |
| Molecular Formula: | C22 H24 N8 O5 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3ccc(c4c3non4)N3CCCCC3)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4498 |
| logD: | 3.4498 |
| logSw: | -3.783 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 131.937 |
| InChI Key: | ZTWRDKJNRHCCJX-UHFFFAOYSA-N |