3-hydroxy-1-(3-methylphenyl)-3-(4-nitrophenyl)-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-(3-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-hydroxy-1-(3-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0914 |
| Compound Name: | 3-hydroxy-1-(3-methylphenyl)-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 446.34 |
| Molecular Formula: | C21 H24 N3 O3 |
| Salt: | Br- |
| Smiles: | Cc1cccc(c1)[N+]1CC(c2ccc(cc2)[N+]([O-])=O)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.583 |
| logD: | 4.583 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.523 |
| InChI Key: | UBICXKAEVGAKME-NRFANRHFSA-N |