4-cyano-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
4-cyano-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
4-cyano-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0988-0234 |
| Compound Name: | 4-cyano-1-[2-oxo-2-(2-oxo-2H-1-benzopyran-3-yl)ethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 371.19 |
| Molecular Formula: | C17 H11 N2 O3 |
| Salt: | Br- |
| Smiles: | C(C(C1=Cc2ccccc2OC1=O)=O)[n+]1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.78 |
| logD: | 1.78 |
| logSw: | -2.0814 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.256 |
| InChI Key: | OHCZDXRNLRPLHK-UHFFFAOYSA-N |