3-[4-(difluoromethoxy)phenyl]-1-(2,5-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
3-[4-(difluoromethoxy)phenyl]-1-(2,5-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-[4-(difluoromethoxy)phenyl]-1-(2,5-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: | K404-0862 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-1-(2,5-dimethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 513.38 |
| Molecular Formula: | C23 H27 F2 N2 O4 |
| Salt: | Br- |
| Smiles: | COc1ccc(c(c1)[N+]1CC(c2ccc(cc2)OC(F)F)(N2CCCCCC=12)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3652 |
| logD: | 4.3652 |
| logSw: | -4.2214 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.62 |
| InChI Key: | SIANYSSKNPKONY-QHCPKHFHSA-N |