3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0891 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-1-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C24 H31 N2 O4 |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)[N+]1CC(c2ccc(c(c2)OC)OC)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.157 |
| logD: | 4.157 |
| logSw: | -4.001 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.526 |
| InChI Key: | ZTHOFHOXHNPYGZ-DEOSSOPVSA-N |