1-butyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-butyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
1-butyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0125 |
| Compound Name: | 1-butyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 358.34 |
| Molecular Formula: | C16 H24 N O S |
| Salt: | Br- |
| Smiles: | CCCC[N+]12CCC(CC1)C(C2)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5958 |
| logD: | 3.5958 |
| logSw: | -3.6177 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.3628 |
| InChI Key: | VBKDCCYHJRMCOJ-UUCFBXCCSA-N |