3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0466 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 453.33 |
| Molecular Formula: | C21 H23 F2 N2 O2 |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccccc1)(c1ccc(cc1)OC(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1534 |
| logD: | 4.1534 |
| logSw: | -4.1269 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.7465 |
| InChI Key: | QKOXMBDDYDGCGF-NRFANRHFSA-N |