1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Chemical Structure Depiction of
1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 4286-0097 |
| Compound Name: | 1-[2-(4-nitrophenyl)-2-oxoethyl]-3-(thiophene-2-carbonyl)-1-azabicyclo[2.2.2]octan-1-ium--bromide (1/1) |
| Molecular Weight: | 465.36 |
| Molecular Formula: | C20 H21 N2 O4 S |
| Salt: | Br- |
| Smiles: | C1C[N+]2(CCC1C(C2)C(c1cccs1)=O)CC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.251 |
| logD: | 3.251 |
| logSw: | -3.582 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.741 |
| InChI Key: | BIXDZKBKRYCRRT-QQHGCPPCSA-N |