3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1)
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0694 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylphenyl)-3-hydroxy-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 459.38 |
| Molecular Formula: | C23 H27 N2 O3 |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1C)[N+]1CC(c2ccc3c(c2)OCCO3)(N2CCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5989 |
| logD: | 3.5989 |
| logSw: | -3.5504 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.333 |
| InChI Key: | ILCSUBPPZBDSCJ-QHCPKHFHSA-N |