N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3936 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-1-[(2-nitrophenoxy)methyl]-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 435.21 |
| Molecular Formula: | C17 H12 Br F N4 O4 |
| Smiles: | C(n1ccc(C(Nc2ccc(cc2F)[Br])=O)n1)Oc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8119 |
| logD: | 3.7645 |
| logSw: | -4.1673 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.162 |
| InChI Key: | PYFPTLAVKNDZDT-UHFFFAOYSA-N |