butyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
butyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
butyl rel-(6R,7R,7aS)-2-butyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5969-0090 |
| Compound Name: | butyl 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)OCCCC)[C@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0403 |
| logD: | 3.0403 |
| logSw: | -2.8965 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.845 |
| InChI Key: | PVOCUWNFIPNMEB-QDEZUTFSSA-N |