3-(3,4-dichlorophenyl)-3-hydroxy-1-(3-methylphenyl)-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-dichlorophenyl)-3-hydroxy-1-(3-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-(3,4-dichlorophenyl)-3-hydroxy-1-(3-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0256 |
| Compound Name: | 3-(3,4-dichlorophenyl)-3-hydroxy-1-(3-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 470.24 |
| Molecular Formula: | C21 H23 Cl2 N2 O |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1)[N+]1CC(c2ccc(c(c2)[Cl])[Cl])(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9156 |
| logD: | 5.9156 |
| logSw: | -5.6722 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1415 |
| InChI Key: | QSCHETRKBUGBBU-NRFANRHFSA-N |