ethyl rel-(6R,7R,7aS)-2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
ethyl rel-(6R,7R,7aS)-2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
ethyl rel-(6R,7R,7aS)-2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 5689-0158 |
| Compound Name: | ethyl rel-(6R,7R,7aS)-2-(2-bromophenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 378.22 |
| Molecular Formula: | C17 H16 Br N O4 |
| Smiles: | CCOC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccccc1[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.742 |
| logD: | 2.742 |
| logSw: | -3.0641 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.554 |
| InChI Key: | DLTNMNJPGRCWKJ-FHIRATQRSA-N |