2-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y508-8589 |
| Compound Name: | 2-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C19 H19 N3 O2 |
| Smiles: | Cc1ccccc1Cn1ccc(n1)N1C(C2CC=CCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0463 |
| logD: | 3.0463 |
| logSw: | -3.0563 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.924 |
| InChI Key: | KUBSXFIPQCIFEA-UHFFFAOYSA-N |