1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium
Chemical Structure Depiction of
1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium
1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium
Compound characteristics
| Compound ID: | C200-9249 |
| Compound Name: | 1-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]-4-(benzylcarbamoyl)pyridin-1-ium |
| Molecular Weight: | 455.31 |
| Molecular Formula: | C22 H19 N2 O4 |
| Salt: | Br- |
| Smiles: | C(c1ccccc1)NC(c1cc[n+](CC(c2ccc3c(c2)OCO3)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9261 |
| logD: | 2.926 |
| logSw: | -3.4612 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.807 |
| InChI Key: | VURRDLKLMBCKON-UHFFFAOYSA-O |