2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-1738 |
| Compound Name: | 2-(5-acetyl-2-ethoxyphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C20 H21 N O4 |
| Smiles: | CCOc1ccc(cc1N1C(C2C3CCC(C=C3)C2C1=O)=O)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8454 |
| logD: | 1.8454 |
| logSw: | -2.2386 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.729 |
| InChI Key: | FHALRKZEDLOOGI-UHFFFAOYSA-N |