1-[2-(azepan-1-yl)-2-oxoethyl]-4-carbamoylpyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-[2-(azepan-1-yl)-2-oxoethyl]-4-carbamoylpyridin-1-ium--chloride (1/1)
1-[2-(azepan-1-yl)-2-oxoethyl]-4-carbamoylpyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 0173-0022 |
| Compound Name: | 1-[2-(azepan-1-yl)-2-oxoethyl]-4-carbamoylpyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 297.78 |
| Molecular Formula: | C14 H20 N3 O2 |
| Salt: | Cl- |
| Smiles: | C1CCCN(CC1)C(C[n+]1ccc(cc1)C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.463 |
| logD: | 0.463 |
| logSw: | -1.3281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.813 |
| InChI Key: | SRRBFJZYQKNYIK-UHFFFAOYSA-O |