N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | C082-0033 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]acetamide |
| Molecular Weight: | 354.36 |
| Molecular Formula: | C19 H18 N2 O5 |
| Smiles: | C1[C@H]2C=C[C@@H]1C1C2C(N(CC(Nc2ccc3c(c2)OCCO3)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4176 |
| logD: | 0.4175 |
| logSw: | -2.0843 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.309 |
| InChI Key: | AUKPYRVZNVVCSP-UHFFFAOYSA-N |