3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium
Compound characteristics
| Compound ID: | K404-0640 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-phenyl-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium |
| Molecular Weight: | 431.33 |
| Molecular Formula: | C21 H23 N2 O3 |
| Salt: | Br- |
| Smiles: | C1CCN2C(C1)=[N+](CC2(c1ccc2c(c1)OCCO2)O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6082 |
| logD: | 2.6082 |
| logSw: | -2.6625 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.634 |
| InChI Key: | MKPSYYVDFYMZFE-NRFANRHFSA-N |