rel-(6R,7R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 5689-0129 |
| Compound Name: | rel-(6R,7R,7aS)-2-(4-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 285.3 |
| Molecular Formula: | C16 H15 N O4 |
| Smiles: | Cc1ccc(cc1)N1C[C@]23C=C[C@H]([C@H](C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7495 |
| logD: | -0.4719 |
| logSw: | -2.1077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.51 |
| InChI Key: | KUFKGDZHWPMXNX-IATRGZMQSA-N |