ethyl [rel-(6R,7aS)-7-(butylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7aS)-7-(butylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7aS)-7-(butylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0063 |
| Compound Name: | ethyl [rel-(6R,7aS)-7-(butylcarbamoyl)-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C17 H24 N2 O5 |
| Smiles: | CCCCNC(C1[C@@H]2C(N(CC(=O)OCC)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9271 |
| logD: | 0.9271 |
| logSw: | -1.3806 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.504 |
| InChI Key: | SDRLYENAAMMRGC-TYHSODRZSA-N |