rel-(4R,7S)-2-(4-acetylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7S)-2-(4-acetylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(4-acetylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8013-0536 |
| Compound Name: | rel-(4R,7S)-2-(4-acetylphenyl)-4-(hydroxymethyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione |
| Molecular Weight: | 313.31 |
| Molecular Formula: | C17 H15 N O5 |
| Smiles: | CC(c1ccc(cc1)N1C(C2C(C1=O)[C@]1(CO)C=C[C@H]2O1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.1394 |
| logD: | -0.1394 |
| logSw: | -1.2091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.938 |
| InChI Key: | PEHNGVCKIJVITR-UHFFFAOYSA-N |