1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-0031 |
| Compound Name: | 1-oxo-2-(1-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | CC(c1ccccc1)N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7489 |
| logD: | -0.4725 |
| logSw: | -2.071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.462 |
| InChI Key: | SUEGUTGUZJAPEV-UHFFFAOYSA-N |