1-(2-tert-butoxy-2-oxoethyl)-3-carbamoylpyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-(2-tert-butoxy-2-oxoethyl)-3-carbamoylpyridin-1-ium--chloride (1/1)
1-(2-tert-butoxy-2-oxoethyl)-3-carbamoylpyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0030 |
| Compound Name: | 1-(2-tert-butoxy-2-oxoethyl)-3-carbamoylpyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 272.73 |
| Molecular Formula: | C12 H17 N2 O3 |
| Salt: | Cl- |
| Smiles: | CC(C)(C)OC(C[n+]1cccc(c1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9634 |
| logD: | 0.9634 |
| logSw: | -1.3597 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.523 |
| InChI Key: | WAJFUCNRRIYDDM-UHFFFAOYSA-O |