N-(3,4-difluorophenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
Chemical Structure Depiction of
N-(3,4-difluorophenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
N-(3,4-difluorophenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
Compound characteristics
| Compound ID: | C082-0038 |
| Compound Name: | N-(3,4-difluorophenyl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide |
| Molecular Weight: | 332.3 |
| Molecular Formula: | C17 H14 F2 N2 O3 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(CC(Nc2ccc(c(c2)F)F)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8016 |
| logD: | 1.7887 |
| logSw: | -2.4826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.485 |
| InChI Key: | OJQXLZXNKATHDV-UHFFFAOYSA-N |