1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-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-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0860 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 491.42 |
| Molecular Formula: | C24 H31 N2 O4 |
| Salt: | Br- |
| Smiles: | CCOc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1cc(ccc1OC)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6488 |
| logD: | 4.6488 |
| logSw: | -4.1801 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.138 |
| InChI Key: | KDUKPRYCXUBAKM-DEOSSOPVSA-N |