1-[3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propyl]quinolin-1-ium
Chemical Structure Depiction of
1-[3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propyl]quinolin-1-ium
1-[3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propyl]quinolin-1-ium
Compound characteristics
| Compound ID: | 4644-0485 |
| Compound Name: | 1-[3-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)propyl]quinolin-1-ium |
| Molecular Weight: | 435.75 |
| Molecular Formula: | C20 H20 Cl N2 O2 |
| Salt: | Br- |
| Smiles: | C(CN1C(C2CC=C(CC2C1=O)[Cl])=O)C[n+]1cccc2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9948 |
| logD: | 2.9948 |
| logSw: | -3.3157 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.7325 |
| InChI Key: | HVWNHGXCVLCZKJ-UHFFFAOYSA-N |