1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}-4-methylpyridin-1-ium--chloride (1/1)
Chemical Structure Depiction of
1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}-4-methylpyridin-1-ium--chloride (1/1)
1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}-4-methylpyridin-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | C393-0032 |
| Compound Name: | 1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}-4-methylpyridin-1-ium--chloride (1/1) |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C18 H24 N3 O4 |
| Salt: | Cl- |
| Smiles: | CCOC(CCCCC(C1=C(C[n+]2ccc(C)cc2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2681 |
| logD: | -2.5745 |
| logSw: | -2.1887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.303 |
| InChI Key: | MUSOBRSVNPAEKU-UHFFFAOYSA-O |