propan-2-yl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
propan-2-yl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
propan-2-yl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
Compound ID: | 5689-0155 |
Compound Name: | propan-2-yl rel-(6R,7R,7aS)-2-(2-methylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
Molecular Weight: | 327.38 |
Molecular Formula: | C19 H21 N O4 |
Smiles: | CC(C)OC([C@@H]1[C@@H]2C(N(C[C@]23C=C[C@H]1O3)c1ccccc1C)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.9962 |
logD: | 2.9961 |
logSw: | -3.2471 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.233 |
InChI Key: | KDJRCKNTFYZQGL-OLMMMNRUSA-N |