3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | 4551-0570 |
| Compound Name: | 3-(4-bromophenyl)-3-hydroxy-1-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 496.24 |
| Molecular Formula: | C21 H24 Br N2 O2 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)[N+]1CC(c2ccc(cc2)[Br])(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0059 |
| logD: | 5.0059 |
| logSw: | -4.37 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6853 |
| InChI Key: | PAXVIUPJWNHSMX-NRFANRHFSA-N |