1,3-bis(4-chlorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1,3-bis(4-chlorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1,3-bis(4-chlorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0225 |
| Compound Name: | 1,3-bis(4-chlorophenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 456.21 |
| Molecular Formula: | C20 H21 Cl2 N2 O |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccc(cc1)[Cl])(c1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3791 |
| logD: | 5.3791 |
| logSw: | -5.9482 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1415 |
| InChI Key: | BBWZNGGTTBGHBI-FQEVSTJZSA-N |