N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-0397 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 452.24 |
| Molecular Formula: | C17 H15 Br F N5 O4 |
| Smiles: | Cc1c(c(C)n(Cc2c(C(Nc3ccc(cc3F)[Br])=O)noc2C)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1293 |
| logD: | 3.0336 |
| logSw: | -3.4869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.925 |
| InChI Key: | HGGABEYPSCJEPH-UHFFFAOYSA-N |