N-(benzyloxy)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(benzyloxy)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(benzyloxy)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y502-4487 |
| Compound Name: | N-(benzyloxy)-4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C20 H20 N4 O4 |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)C(NOCc2ccccc2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3706 |
| logD: | 2.1319 |
| logSw: | -2.6342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.521 |
| InChI Key: | XRZDIMSALJBBIP-UHFFFAOYSA-N |