4-(ethoxycarbonyl)-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-(ethoxycarbonyl)-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
4-(ethoxycarbonyl)-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 6570-0118 |
| Compound Name: | 4-(ethoxycarbonyl)-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 418.24 |
| Molecular Formula: | C19 H16 N O5 |
| Salt: | Br- |
| Smiles: | CCOC(c1cc[n+](CC(C2=Cc3ccccc3OC2=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.727 |
| logD: | 2.727 |
| logSw: | -3.0024 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.953 |
| InChI Key: | YCCGCGZHQFMNLA-UHFFFAOYSA-N |