3-hydroxy-3-(4-nitrophenyl)-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-hydroxy-3-(4-nitrophenyl)-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
3-hydroxy-3-(4-nitrophenyl)-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | K404-0815 |
| Compound Name: | 3-hydroxy-3-(4-nitrophenyl)-1-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 432.32 |
| Molecular Formula: | C20 H22 N3 O3 |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccccc1)(c1ccc(cc1)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9938 |
| logD: | 3.9938 |
| logSw: | -4.1302 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.523 |
| InChI Key: | CTYCGHKGYOYMSM-FQEVSTJZSA-N |