4-(dimethylamino)-1-[2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-(dimethylamino)-1-[2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
4-(dimethylamino)-1-[2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4440-0591 |
| Compound Name: | 4-(dimethylamino)-1-[2-(8-methoxy-2-oxo-2H-1-benzopyran-3-yl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 419.27 |
| Molecular Formula: | C19 H19 N2 O4 |
| Salt: | Br- |
| Smiles: | CN(C)c1cc[n+](CC(C2=Cc3cccc(c3OC2=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2296 |
| logD: | 2.2296 |
| logSw: | -2.811 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.319 |
| InChI Key: | XTINAQIMLIPNAC-UHFFFAOYSA-N |