rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-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)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-0365 |
| Compound Name: | rel-(4R,7S)-2-(5-acetyl-2-methoxyphenyl)-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(c(c1)N1C(C2C(C1=O)[C@H]1C=C[C@@H]2O1)=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.2946 |
| logD: | 0.2946 |
| logSw: | -1.5975 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.66 |
| InChI Key: | KONWAFWYYOOUOD-UHFFFAOYSA-N |