3-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-(3,4-dimethoxyphenyl)-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: | K404-0817 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-3-hydroxy-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 447.37 |
| Molecular Formula: | C22 H27 N2 O3 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1OC)C1(C[N+](=C2CCCCCN12)c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6665 |
| logD: | 3.6665 |
| logSw: | -3.8157 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.402 |
| InChI Key: | SDGCNDKOLODNNI-QFIPXVFZSA-N |