3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0327-0033 |
| Compound Name: | 3-carbamoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 351.2 |
| Molecular Formula: | C15 H15 N2 O3 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C(C[n+]1cccc(c1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9518 |
| logD: | 0.9518 |
| logSw: | -1.3759 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.774 |
| InChI Key: | PFYFANRHYIWRMC-UHFFFAOYSA-O |