ethyl [rel-(6R,7R,7aS)-7-(cycloheptylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7R,7aS)-7-(cycloheptylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7R,7aS)-7-(cycloheptylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0052 |
| Compound Name: | ethyl [rel-(6R,7R,7aS)-7-(cycloheptylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 376.45 |
| Molecular Formula: | C20 H28 N2 O5 |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H]([C@H](C(NC4CCCCCC4)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0038 |
| logD: | 2.0038 |
| logSw: | -2.137 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.447 |
| InChI Key: | SQJSWAJBXNKLHP-ASKNOMKYSA-N |