3-hydroxy-1-(4-methylphenyl)-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-hydroxy-1-(4-methylphenyl)-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-hydroxy-1-(4-methylphenyl)-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0827 |
| Compound Name: | 3-hydroxy-1-(4-methylphenyl)-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 401.35 |
| Molecular Formula: | C21 H25 N2 O |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1)[N+]1CC(c2ccccc2)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.508 |
| logD: | 4.508 |
| logSw: | -4.1511 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1415 |
| InChI Key: | JYATVUVHSOPIIY-NRFANRHFSA-N |