rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 5212-3148 |
| Compound Name: | rel-(6R,7aS)-2-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 277.32 |
| Molecular Formula: | C15 H19 N O4 |
| Smiles: | C1CCC(CC1)N1C[C@]23C=C[C@H](C(C(O)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5734 |
| logD: | -0.648 |
| logSw: | -1.5934 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.343 |
| InChI Key: | SDOCVRCDRWCALS-QLFHFCRWSA-N |