1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0865 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 507.42 |
| Molecular Formula: | C24 H31 N2 O5 |
| Salt: | Br- |
| Smiles: | COc1ccc(c(c1)[N+]1CC(c2ccc(c(c2)OC)OC)(N2CCCCCC=12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8783 |
| logD: | 3.8783 |
| logSw: | -3.9472 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.276 |
| InChI Key: | SAHUATAPHZRMIT-DEOSSOPVSA-N |