rel-(4R,7R)-2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7R)-2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7R)-2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 3970-0802 |
| Compound Name: | rel-(4R,7R)-2-(3,4-dimethylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 269.3 |
| Molecular Formula: | C16 H15 N O3 |
| Smiles: | Cc1ccc(cc1C)N1C(C2C(C1=O)[C@H]1C=C[C@H]2O1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0141 |
| logD: | 2.0141 |
| logSw: | -2.2952 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.504 |
| InChI Key: | RABHBYZPGYJALP-UHFFFAOYSA-N |