N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1)
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-dimethylprop-2-yn-1-aminium--bromide (1/1)
N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1)
Compound characteristics
| Compound ID: | 4644-0029 |
| Compound Name: | N-[2-(1,3-dioxo-4,7-diphenyl-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)ethyl]-N,N-dimethylprop-2-yn-1-aminium--bromide (1/1) |
| Molecular Weight: | 493.44 |
| Molecular Formula: | C27 H29 N2 O2 |
| Salt: | Br- |
| Smiles: | C[N+](C)(CCN1C(C2C(C=CC(C2C1=O)c1ccccc1)c1ccccc1)=O)CC#C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6366 |
| logD: | 3.6366 |
| logSw: | -3.8136 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.7037 |
| InChI Key: | WQMGCNYUPXJMEE-UHFFFAOYSA-N |