1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
Compound ID: | K843-0059 |
Compound Name: | 1-(4-ethylphenyl)-2-hydroxy-2-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
Molecular Weight: | 460.37 |
Molecular Formula: | C22 H26 N3 O3 |
Salt: | Br- |
Smiles: | CCc1ccc(cc1)[N+]1=C2CCCCCN2CC1(c1ccc(cc1)[N+]([O-])=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.0472 |
logD: | 5.0472 |
logSw: | -4.3851 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.642 |
InChI Key: | AWEMMHFHLYZBPG-QFIPXVFZSA-N |