rel-(3aR,7aS)-2-(3-acetylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-2-(3-acetylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-2-(3-acetylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5782-2539 |
| Compound Name: | rel-(3aR,7aS)-2-(3-acetylphenyl)-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 285.34 |
| Molecular Formula: | C17 H19 N O3 |
| Smiles: | CC1CC[C@@H]2C(N(C([C@@H]2C1)=O)c1cccc(c1)C(C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0471 |
| logD: | 2.0471 |
| logSw: | -2.7055 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.899 |
| InChI Key: | FRLGWGSXOODHAI-UHFFFAOYSA-N |