2-methylpropyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
2-methylpropyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
2-methylpropyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0089 |
| Compound Name: | 2-methylpropyl rel-(6R,7R,7aS)-2-butyl-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: | CCCCN1C[C@]23C=C[C@H]([C@H](C(=O)OCC(C)C)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.991 |
| logD: | 2.991 |
| logSw: | -3.041 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.926 |
| InChI Key: | NIFXRUKLZIIAPQ-OEUWWYETSA-N |