2-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9523 |
| Compound Name: | 2-{1-[(3-methylphenyl)methyl]-1H-pyrazol-4-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C19 H19 N3 O3 |
| Smiles: | Cc1cccc(Cn2cc(cn2)N2C(C3C(C4CCC3O4)C2=O)=O)c1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9774 |
| logD: | 2.9774 |
| logSw: | -2.8909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.01 |
| InChI Key: | GPJXSXZTXRZBOT-UHFFFAOYSA-N |