3-(ethoxycarbonyl)-1-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Chemical Structure Depiction of
3-(ethoxycarbonyl)-1-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
3-(ethoxycarbonyl)-1-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1)
Compound characteristics
| Compound ID: | 3228-0103 |
| Compound Name: | 3-(ethoxycarbonyl)-1-[2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-1-azabicyclo[2.2.2]octan-1-ium--chloride (1/1) |
| Molecular Weight: | 459.01 |
| Molecular Formula: | C24 H27 N2 O3 S |
| Salt: | Cl- |
| Smiles: | CCOC(C1C[N+]2(CCC1CC2)CC(N1c2ccccc2Sc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7994 |
| logD: | 3.7994 |
| logSw: | -3.9063 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 34.757 |
| InChI Key: | HWSGATPRTWOTHR-ZDPBTNRZSA-N |