N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethyl-2-oxo-2-[(propan-2-yl)oxy]ethan-1-aminium
Chemical Structure Depiction of
N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethyl-2-oxo-2-[(propan-2-yl)oxy]ethan-1-aminium
N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethyl-2-oxo-2-[(propan-2-yl)oxy]ethan-1-aminium
Compound characteristics
| Compound ID: | 4644-0034 |
| Compound Name: | N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethyl-2-oxo-2-[(propan-2-yl)oxy]ethan-1-aminium |
| Molecular Weight: | 555.51 |
| Molecular Formula: | C29 H35 N2 O4 |
| Salt: | Br- |
| Smiles: | CC(C)OC(C[N+](C)(C)CCN1C(C2C(C=CC(C2C1=O)c1ccccc1)c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5264 |
| logD: | 3.5264 |
| logSw: | -3.6463 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.563 |
| InChI Key: | IZXJDWLNVCIZQW-UHFFFAOYSA-N |