ethyl [rel-(6R,7aS)-7-[(3-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Chemical Structure Depiction of
ethyl [rel-(6R,7aS)-7-[(3-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
ethyl [rel-(6R,7aS)-7-[(3-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate
Compound characteristics
Compound ID: | C428-0060 |
Compound Name: | ethyl [rel-(6R,7aS)-7-[(3-fluorophenyl)carbamoyl]-1-oxo-1,6,7,7a-tetrahydro-3a,6-epoxyisoindol-2(3H)-yl]acetate |
Molecular Weight: | 374.37 |
Molecular Formula: | C19 H19 F N2 O5 |
Smiles: | CCOC(CN1C[C@]23C=C[C@H](C(C(Nc4cccc(c4)F)=O)[C@@H]2C1=O)O3)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 1.5471 |
logD: | 1.529 |
logSw: | -2.2789 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.069 |
InChI Key: | GKVXBQQPPCWAEW-LPSBANLLSA-N |