1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(diethylcarbamoyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(diethylcarbamoyl)pyridin-1-ium--bromide (1/1)
1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(diethylcarbamoyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8019-8867 |
| Compound Name: | 1-[2-(4-chlorophenyl)-2-oxoethyl]-3-(diethylcarbamoyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 411.72 |
| Molecular Formula: | C18 H20 Cl N2 O2 |
| Salt: | Br- |
| Smiles: | CCN(CC)C(c1ccc[n+](CC(c2ccc(cc2)[Cl])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4383 |
| logD: | 2.4383 |
| logSw: | -3.0376 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.103 |
| InChI Key: | ISWHSHWTKBBJEP-UHFFFAOYSA-N |