2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(2-methoxyphenyl)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-(2-methoxyphenyl)acetamide
2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K978-0038 |
| Compound Name: | 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(2-methoxyphenyl)acetamide |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C18 H18 N2 O4 |
| Smiles: | COc1ccccc1NC(CN1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1981 |
| logD: | 1.198 |
| logSw: | -2.1578 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.418 |
| InChI Key: | CDLYCZQEQLFGTO-UHFFFAOYSA-N |