2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Chemical Structure Depiction of
2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium
Compound characteristics
| Compound ID: | 2332-0957 |
| Compound Name: | 2-hydroxy-1-(4-methylphenyl)-2-phenyl-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-1-ium |
| Molecular Weight: | 401.35 |
| Molecular Formula: | C21 H25 N2 O |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1)[N+]1=C2CCCCCN2CC1(c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5092 |
| logD: | 4.5092 |
| logSw: | -4.1458 |
| Hydrogen bond acceptors count: | 1 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.2602 |
| InChI Key: | XSHJASNUEYREHS-NRFANRHFSA-N |