1-[2-(4-bromophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
1-[2-(4-bromophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0096 |
| Compound Name: | 1-[2-(4-bromophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 499.26 |
| Molecular Formula: | C20 H21 Br N O2 S |
| Salt: | Br- |
| Smiles: | C1C[N+]2(CCC1C(C2)C(c1cccs1)=O)CC(c1ccc(cc1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1593 |
| logD: | 4.1593 |
| logSw: | -4.2935 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.3598 |
| InChI Key: | ZREYBLRGFZCFAB-QQHGCPPCSA-N |