1-(4-ethoxyphenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
1-(4-ethoxyphenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
1-(4-ethoxyphenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | K404-0888 |
| Compound Name: | 1-(4-ethoxyphenyl)-3-hydroxy-3-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 431.37 |
| Molecular Formula: | C22 H27 N2 O2 |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)[N+]1CC(c2ccccc2)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4536 |
| logD: | 4.4536 |
| logSw: | -4.0349 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2651 |
| InChI Key: | WWSIZDRAMBUFEP-QFIPXVFZSA-N |