rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-8009 |
| Compound Name: | rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 343.33 |
| Molecular Formula: | C18 H17 N O6 |
| Smiles: | CC(c1ccc(c(c1)N1C(C2C(C1=O)[C@]1(CO)C=C[C@H]2O1)=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.2685 |
| logD: | -0.2685 |
| logSw: | -1.491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.267 |
| InChI Key: | BPDYHHRWWLUABH-UHFFFAOYSA-N |