4,5-dimethoxy-2-[(1H-pyrazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4,5-dimethoxy-2-[(1H-pyrazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
4,5-dimethoxy-2-[(1H-pyrazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y500-3698 |
| Compound Name: | 4,5-dimethoxy-2-[(1H-pyrazol-3-yl)methyl]-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 287.27 |
| Molecular Formula: | C14 H13 N3 O4 |
| Smiles: | COc1ccc2C(N(Cc3cc[nH]n3)C(c2c1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3703 |
| logD: | 0.3703 |
| logSw: | -2.2286 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.936 |
| InChI Key: | XAVMZPYBOXJYKP-UHFFFAOYSA-N |