1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium--bromide (1/1)
1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 5744-0039 |
| Compound Name: | 1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-4-methylpyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 390.23 |
| Molecular Formula: | C18 H16 N O4 |
| Salt: | Br- |
| Smiles: | Cc1cc[n+](CC(C2=Cc3cc(ccc3OC2=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0946 |
| logD: | 2.0946 |
| logSw: | -2.8936 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.743 |
| InChI Key: | KXENLJMTDYRLGQ-UHFFFAOYSA-N |