3-(4-ethoxyphenyl)-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-ethoxyphenyl)-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-(4-ethoxyphenyl)-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: | K404-0814 |
| Compound Name: | 3-(4-ethoxyphenyl)-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 431.37 |
| Molecular Formula: | C22 H27 N2 O2 |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4371 |
| logD: | 4.4371 |
| logSw: | -4.0412 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2651 |
| InChI Key: | MPEBCBPXJWNSLX-QFIPXVFZSA-N |