2-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
2-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y502-9529 |
| Compound Name: | 2-{1-[(2-chloro-4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 389.81 |
| Molecular Formula: | C19 H17 Cl F N3 O3 |
| Smiles: | Cc1cc(nn1Cc1ccc(cc1[Cl])F)N1C(C2C(C3CCC2O3)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7457 |
| logD: | 3.7457 |
| logSw: | -4.0829 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.896 |
| InChI Key: | JROCTOCCUYECGG-UHFFFAOYSA-N |