3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | K404-0878 |
| Compound Name: | 3-[4-(difluoromethoxy)phenyl]-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 483.35 |
| Molecular Formula: | C22 H25 F2 N2 O3 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)[N+]1CC(c2ccc(cc2)OC(F)F)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2573 |
| logD: | 4.2573 |
| logSw: | -4.0812 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.29 |
| InChI Key: | PRPDFBZHRZIDAA-QFIPXVFZSA-N |