1-oxo-2-[1-(pyridin-4-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-[1-(pyridin-4-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
1-oxo-2-[1-(pyridin-4-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-6928 |
| Compound Name: | 1-oxo-2-[1-(pyridin-4-yl)ethyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C16 H16 N2 O4 |
| Smiles: | CC(c1ccncc1)N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.5869 |
| logD: | -1.6345 |
| logSw: | -0.9606 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.89 |
| InChI Key: | IZTDDJXWSQKAAY-UHFFFAOYSA-N |