1-(2,3-dimethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2,3-dimethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(2,3-dimethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0851 |
| Compound Name: | 1-(2,3-dimethylphenyl)-3-hydroxy-3-(thiophen-2-yl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 421.4 |
| Molecular Formula: | C20 H25 N2 O S |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1C)[N+]1CC(c2cccs2)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8957 |
| logD: | 4.8957 |
| logSw: | -4.2841 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.859 |
| InChI Key: | GJLQMYFXFJNQSK-FQEVSTJZSA-N |