1-(4-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | 4551-0220 |
| Compound Name: | 1-(4-chlorophenyl)-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: | 439.75 |
| Molecular Formula: | C20 H21 Cl F N2 O |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccc(cc1)[Cl])(c1ccc(cc1)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8134 |
| logD: | 4.8134 |
| logSw: | -4.8054 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1415 |
| InChI Key: | HSUAXACORVUTNN-FQEVSTJZSA-N |