N-{4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-{4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-{4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y500-4332 |
| Compound Name: | N-{4-[4-(difluoromethoxy)phenyl]pyrimidin-2-yl}-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 466.4 |
| Molecular Formula: | C22 H16 F2 N6 O4 |
| Smiles: | C(c1ccc(cc1)C(Nc1nccc(c2ccc(cc2)OC(F)F)n1)=O)n1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2178 |
| logD: | 3.2117 |
| logSw: | -3.408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.688 |
| InChI Key: | QWLQUOGBFBRKBY-UHFFFAOYSA-N |