1-(4-chlorophenyl)-3-hydroxy-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
1-(4-chlorophenyl)-3-hydroxy-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1)
1-(4-chlorophenyl)-3-hydroxy-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: | K404-0896 |
| Compound Name: | 1-(4-chlorophenyl)-3-hydroxy-3-(4-nitrophenyl)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium--bromide (1/1) |
| Molecular Weight: | 466.76 |
| Molecular Formula: | C20 H21 Cl N3 O3 |
| Salt: | Br- |
| Smiles: | C1CCC2N(CC1)C(C[N+]=2c1ccc(cc1)[Cl])(c1ccc(cc1)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.71 |
| logD: | 4.71 |
| logSw: | -4.8514 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.523 |
| InChI Key: | PIZJBECEMDCNJK-FQEVSTJZSA-N |