1-(4-bromophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-bromophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(4-bromophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 1185-0500 |
| Compound Name: | 1-(4-bromophenyl)-2-hydroxy-2-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 496.24 |
| Molecular Formula: | C21 H24 Br N2 O2 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C1(CN2CCCCCC2=[N+]1c1ccc(cc1)[Br])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0072 |
| logD: | 5.0072 |
| logSw: | -4.4042 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.8039 |
| InChI Key: | BIRFNOUSCKMMDJ-NRFANRHFSA-N |