4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-methylbenzamide
Chemical Structure Depiction of
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-methylbenzamide
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-methylbenzamide
Compound characteristics
| Compound ID: | 4682-0045 |
| Compound Name: | 4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-methylbenzamide |
| Molecular Weight: | 296.32 |
| Molecular Formula: | C17 H16 N2 O3 |
| Smiles: | CNC(c1ccc(cc1)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5222 |
| logD: | 0.5222 |
| logSw: | -1.8456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.56 |
| InChI Key: | ZEFMHRBNDXITPG-BCVKRFQSSA-N |