ethyl [rel-(6R,7aS)-1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7aS)-1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7aS)-1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
| Compound ID: | C428-0051 |
| Compound Name: | ethyl [rel-(6R,7aS)-1-oxo-7-{[(thiophen-2-yl)methyl]carbamoyl}-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C18 H20 N2 O5 S |
| Smiles: | CCOC(CN1C[C@]23C=C[C@H](C(C(NCc4cccs4)=O)[C@@H]2C1=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8496 |
| logD: | 0.8496 |
| logSw: | -2.264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.409 |
| InChI Key: | HPMUTBVLALCMHC-GFVFZOQESA-N |