3-carbamoyl-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-carbamoyl-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
3-carbamoyl-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 0173-0033 |
| Compound Name: | 3-carbamoyl-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 301.18 |
| Molecular Formula: | C12 H17 N2 O2 |
| Salt: | Br- |
| Smiles: | CC(C)(C)C(C[n+]1cccc(c1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9407 |
| logD: | 0.9407 |
| logSw: | -1.4281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.501 |
| InChI Key: | PNMMPPMLDYOQSW-UHFFFAOYSA-O |