rel-(4R,7R)-2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(4R,7R)-2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
rel-(4R,7R)-2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 4917-0036 |
| Compound Name: | rel-(4R,7R)-2-(5-acetyl-2-methoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 325.36 |
| Molecular Formula: | C19 H19 N O4 |
| Smiles: | CC(c1ccc(c(c1)N1C(C2C(C1=O)[C@@H]1CC[C@@H]2C=C1)=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.3822 |
| logD: | 1.3822 |
| logSw: | -1.9723 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.149 |
| InChI Key: | MTAIMAPWKFLJHF-UHFFFAOYSA-N |