1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-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-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0885 |
| Compound Name: | 1-(4-ethoxyphenyl)-3-(4-fluorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C22 H26 F N2 O2 |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)[N+]1CC(c2ccc(cc2)F)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5877 |
| logD: | 4.5877 |
| logSw: | -4.0929 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2651 |
| InChI Key: | JRPQWXUANQUDOC-QFIPXVFZSA-N |