rel-(3aR,7aS)-2-(2-methoxyphenyl)-4,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(2-methoxyphenyl)-4,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(2-methoxyphenyl)-4,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 6228-0214 |
| Compound Name: | rel-(3aR,7aS)-2-(2-methoxyphenyl)-4,6-dimethyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 285.34 |
| Molecular Formula: | C17 H19 N O3 |
| Smiles: | CC1C=C(C)C[C@@H]2C(N(C([C@H]12)=O)c1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1148 |
| logD: | 2.1148 |
| logSw: | -2.7528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.402 |
| InChI Key: | LSBATRZOYAFSTE-UHFFFAOYSA-N |