N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-7036 |
| Compound Name: | N-{1-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl}-5-methyl-4-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 426.36 |
| Molecular Formula: | C18 H15 F N8 O4 |
| Smiles: | Cc1c(Cn2cc(cn2)[N+]([O-])=O)c(C(Nc2ncn(Cc3ccccc3F)n2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.9331 |
| logD: | 1.8884 |
| logSw: | -2.4586 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 118.67 |
| InChI Key: | BLVDALUPCCEKRS-UHFFFAOYSA-N |