2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(3-methylphenyl)acetamide
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | K978-0172 |
| Compound Name: | 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C18 H18 N2 O3 |
| Smiles: | Cc1cccc(c1)NC(CN1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.805 |
| logD: | 1.805 |
| logSw: | -2.3847 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.485 |
| InChI Key: | RJMIPBRRCGHPAI-UHFFFAOYSA-N |