1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-3-methylpyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-3-methylpyridin-1-ium--bromide (1/1)
1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-3-methylpyridin-1-ium--bromide (1/1)
Compound characteristics
Compound ID: | 5744-0038 |
Compound Name: | 1-[2-(6-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]-3-methylpyridin-1-ium--bromide (1/1) |
Molecular Weight: | 390.23 |
Molecular Formula: | C18 H16 N O4 |
Salt: | Br- |
Smiles: | Cc1ccc[n+](CC(C2=Cc3cc(ccc3OC2=O)OC)=O)c1 |
Stereo: | ACHIRAL |
logP: | 2.4161 |
logD: | 2.4161 |
logSw: | -2.7264 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.636 |
InChI Key: | FNVZLZWRYKXZDY-UHFFFAOYSA-N |