3-methyl-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-methyl-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
3-methyl-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 2222-0110 |
| Compound Name: | 3-methyl-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 360.21 |
| Molecular Formula: | C17 H14 N O3 |
| Salt: | Br- |
| Smiles: | Cc1ccc[n+](CC(C2=Cc3ccccc3OC2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4115 |
| logD: | 2.4115 |
| logSw: | -2.5848 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.093 |
| InChI Key: | JLVPJAJDTUCEQC-UHFFFAOYSA-N |