3-[hydroxy(diphenyl)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
3-[hydroxy(diphenyl)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
3-[hydroxy(diphenyl)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0112 |
| Compound Name: | 3-[hydroxy(diphenyl)methyl]-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 537.45 |
| Molecular Formula: | C28 H29 N2 O4 |
| Salt: | Br- |
| Smiles: | C1C[N+]2(CCC1C(C2)C(c1ccccc1)(c1ccccc1)O)CC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5844 |
| logD: | 4.5844 |
| logSw: | -4.4426 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.781 |
| InChI Key: | ZCDKFNSQGBARMP-GGZQPEMISA-N |