1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-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-ethylphenyl)-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-ethylphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0543 |
| Compound Name: | 1-(2,5-dimethoxyphenyl)-3-(4-ethylphenyl)-3-hydroxy-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 475.43 |
| Molecular Formula: | C24 H31 N2 O3 |
| Salt: | Br- |
| Smiles: | CCc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1cc(ccc1OC)OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2105 |
| logD: | 5.2105 |
| logSw: | -4.7897 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.015 |
| InChI Key: | VPDYHWWOPZCXRM-DEOSSOPVSA-N |