4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0407 |
| Compound Name: | 4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methoxy-4-nitrophenyl)-5-methyl-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 430.38 |
| Molecular Formula: | C18 H18 N6 O7 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3ccc(cc3OC)[N+]([O-])=O)=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2643 |
| logD: | 1.9171 |
| logSw: | -3.003 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 132.937 |
| InChI Key: | VENORTXQZCGONM-UHFFFAOYSA-N |