benzyl 1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
benzyl 1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
benzyl 1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 8016-4651 |
| Compound Name: | benzyl 1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C22 H27 N O5 |
| Smiles: | CC(C)OCCCN1CC23C=CC(C(C2C1=O)C(=O)OCc1ccccc1)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6133 |
| logD: | 2.6133 |
| logSw: | -2.8715 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.856 |
| InChI Key: | HBKFWZAUGLVAIL-UHFFFAOYSA-N |