4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzamide
Chemical Structure Depiction of
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzamide
4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzamide
Compound characteristics
| Compound ID: | 4682-0044 |
| Compound Name: | 4-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzamide |
| Molecular Weight: | 282.3 |
| Molecular Formula: | C16 H14 N2 O3 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(C1=O)c1ccc(cc1)C(N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2485 |
| logD: | 0.2485 |
| logSw: | -1.4205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.783 |
| InChI Key: | XFKOPYRJAQQCRU-WPMGSTCASA-N |