butyl rel-(6R,7R,7aS)-2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
butyl rel-(6R,7R,7aS)-2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
butyl rel-(6R,7R,7aS)-2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0034 |
| Compound Name: | butyl rel-(6R,7R,7aS)-2-(2-methylpropyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C17 H25 N O4 |
| Smiles: | CCCCOC([C@@H]1[C@@H]2C=C[C@@]3(CN(CC(C)C)C([C@H]13)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9194 |
| logD: | 2.9194 |
| logSw: | -2.8549 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.867 |
| InChI Key: | YGMDYSFJPOGJDL-QDEZUTFSSA-N |