rel-(3aR,7aS)-2-(2-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(2-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(2-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K603-0382 |
| Compound Name: | rel-(3aR,7aS)-2-(2-methoxyphenyl)hexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 259.3 |
| Molecular Formula: | C15 H17 N O3 |
| Smiles: | COc1ccccc1N1C([C@H]2CCCC[C@H]2C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8238 |
| logD: | 1.8238 |
| logSw: | -2.458 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.402 |
| InChI Key: | CQUJVLQUIJOTCA-UHFFFAOYSA-N |