3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-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)-3-hydroxy-1-(2-methoxyphenyl)-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)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0682 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-1-(2-methoxyphenyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyridin-1-ium--bromide (1/1) |
| Molecular Weight: | 461.35 |
| Molecular Formula: | C22 H25 N2 O4 |
| Salt: | Br- |
| Smiles: | COc1ccccc1[N+]1CC(c2ccc3c(c2)OCCO3)(N2CCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5066 |
| logD: | 2.5066 |
| logSw: | -2.4353 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.963 |
| InChI Key: | TUUMIVYBIOSJRJ-QFIPXVFZSA-N |