3-hydroxy-1-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-hydroxy-1-(4-methoxyphenyl)-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: | K404-0879 |
| Compound Name: | 3-hydroxy-1-(4-methoxyphenyl)-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C21 H24 N3 O4 |
| Salt: | Br- |
| Smiles: | COc1ccc(cc1)[N+]1CC(c2ccc(cc2)[N+]([O-])=O)(N2CCCCCC=12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0977 |
| logD: | 4.0977 |
| logSw: | -4.0527 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.067 |
| InChI Key: | WZPQXUVEFXGPQL-NRFANRHFSA-N |