2-(4-bromo-3-methylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(4-bromo-3-methylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
2-(4-bromo-3-methylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0356 |
| Compound Name: | 2-(4-bromo-3-methylphenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 322.2 |
| Molecular Formula: | C15 H16 Br N O2 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C2CCCCC2C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2841 |
| logD: | 3.2841 |
| logSw: | -3.365 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.072 |
| InChI Key: | CNTGOGRIMNYXEH-UHFFFAOYSA-N |