rel-(4R,7S)-2-(2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0188 |
| Compound Name: | rel-(4R,7S)-2-(2,5-dimethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | COc1ccc(c(c1)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7952 |
| logD: | 1.7952 |
| logSw: | -2.1784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.598 |
| InChI Key: | YQBAVNFTZPIWTE-UHFFFAOYSA-N |