rel-(4R,4aS,5aR,6R)-2-(pyridin-4-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
rel-(4R,4aS,5aR,6R)-2-(pyridin-4-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
rel-(4R,4aS,5aR,6R)-2-(pyridin-4-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | 8002-0604 |
| Compound Name: | rel-(4R,4aS,5aR,6R)-2-(pyridin-4-yl)hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione |
| Molecular Weight: | 266.3 |
| Molecular Formula: | C16 H14 N2 O2 |
| Smiles: | C1C2C1[C@@H]1C=C[C@@H]2C2C1C(N(C2=O)c1ccncc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.6356 |
| logD: | 0.6348 |
| logSw: | -0.669 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.672 |
| InChI Key: | GLDIAQKUQXIAHS-WYKRHAGGSA-N |