4,5-dimethoxy-2-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
4,5-dimethoxy-2-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-isoindole-1,3(2H)-dione
4,5-dimethoxy-2-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y501-2567 |
| Compound Name: | 4,5-dimethoxy-2-{1-[(3-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 378.39 |
| Molecular Formula: | C20 H18 N4 O4 |
| Smiles: | Cc1cccc(Cn2cnc(n2)N2C(c3ccc(c(c3C2=O)OC)OC)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4323 |
| logD: | 2.4323 |
| logSw: | -2.9225 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.242 |
| InChI Key: | WBMMBNIDWYBPCF-UHFFFAOYSA-N |