3-hydroxy-1-(2-methoxyphenyl)-3-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-hydroxy-1-(2-methoxyphenyl)-3-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-hydroxy-1-(2-methoxyphenyl)-3-(4-methylphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0834 |
| Compound Name: | 3-hydroxy-1-(2-methoxyphenyl)-3-(4-methylphenyl)-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: | Cc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1ccccc1OC)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3899 |
| logD: | 4.3899 |
| logSw: | -4.2166 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.471 |
| InChI Key: | NHCIYALWHCUOFT-QFIPXVFZSA-N |