1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-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-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1)
1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0557-0515 |
| Compound Name: | 1-{2-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 542.39 |
| Molecular Formula: | C28 H20 N3 O4 |
| Salt: | Br- |
| Smiles: | C(C(c1ccc(cc1)N1C(c2ccccc2C1=O)=O)=O)[n+]1cccc(c1)C(Nc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5066 |
| logD: | 3.5065 |
| logSw: | -3.7084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.904 |
| InChI Key: | ZCVCGYWVZHDYHH-UHFFFAOYSA-O |