1-ethyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-ethyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
1-ethyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0126 |
| Compound Name: | 1-ethyl-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 330.28 |
| Molecular Formula: | C14 H20 N O S |
| Salt: | Br- |
| Smiles: | CC[N+]12CCC(CC1)C(C2)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6278 |
| logD: | 2.6278 |
| logSw: | -2.7984 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 15.1092 |
| InChI Key: | CSYOYNOVWGGXDH-AVERBVTBSA-N |