1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4551-0221 |
| Compound Name: | 1-(4-chlorophenyl)-3-hydroxy-3-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 451.79 |
| Molecular Formula: | C21 H24 Cl N2 O2 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)C1(C[N+](=C2CCCCCN12)c1ccc(cc1)[Cl])O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7667 |
| logD: | 4.7667 |
| logSw: | -4.7049 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6853 |
| InChI Key: | JYFVTDPCCHUYGQ-NRFANRHFSA-N |