1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}pyridin-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}pyridin-1-ium--chloride (1/1)
1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}pyridin-1-ium--chloride (1/1)
Compound characteristics
Compound ID: | C393-0031 |
Compound Name: | 1-{[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-2,3-dihydro-1H-imidazol-4-yl]methyl}pyridin-1-ium--chloride (1/1) |
Molecular Weight: | 367.83 |
Molecular Formula: | C17 H22 N3 O4 |
Salt: | Cl- |
Smiles: | CCOC(CCCCC(C1=C(C[n+]2ccccc2)NC(N1)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.8825 |
logD: | -2.9601 |
logSw: | -1.705 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.303 |
InChI Key: | DRBXQLUWOWMBEK-UHFFFAOYSA-O |