2-[2-(diethylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-[2-(diethylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-[2-(diethylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-5022 |
| Compound Name: | 2-[2-(diethylamino)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 294.35 |
| Molecular Formula: | C15 H22 N2 O4 |
| Smiles: | CCN(CC)CCN1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4805 |
| logD: | 0.4805 |
| logSw: | -0.5117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.617 |
| InChI Key: | KMCWJCUNYIWRDS-UHFFFAOYSA-N |