2-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9736 |
| Compound Name: | 2-{1-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C18 H18 N4 O3 |
| Smiles: | Cc1ccc(Cn2cnc(n2)N2C(C3C(C4CCC3O4)C2=O)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8219 |
| logD: | 2.8219 |
| logSw: | -2.9345 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.519 |
| InChI Key: | KCDNGGLMXIMIEC-UHFFFAOYSA-N |