1-(2-ethoxy-2-oxoethyl)-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-(2-ethoxy-2-oxoethyl)-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
1-(2-ethoxy-2-oxoethyl)-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0115 |
| Compound Name: | 1-(2-ethoxy-2-oxoethyl)-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 388.32 |
| Molecular Formula: | C16 H22 N O3 S |
| Salt: | Br- |
| Smiles: | CCOC(C[N+]12CCC(CC1)C(C2)C(c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4285 |
| logD: | 2.4285 |
| logSw: | -2.7497 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.543 |
| InChI Key: | CIUDKPIIMNGTPO-JZLYGMAVSA-N |