1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-methylpyridin-1-ium--bromide (1/1)
1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0557-0504 |
| Compound Name: | 1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-methylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 437.29 |
| Molecular Formula: | C22 H17 N2 O3 |
| Salt: | Br- |
| Smiles: | Cc1ccc[n+](CC(c2ccc(cc2)N2C(c3ccccc3C2=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0394 |
| logD: | 3.0394 |
| logSw: | -3.2232 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.812 |
| InChI Key: | SFVCFBPJNRJFDX-UHFFFAOYSA-N |