methyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0024 |
| Compound Name: | methyl rel-(6R,7R,7aS)-2-(2-ethylphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C18 H19 N O4 |
| Smiles: | CCc1ccccc1N1C[C@]23C=C[C@H]([C@H](C(=O)OC)[C@@H]2C1=O)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6817 |
| logD: | 2.6816 |
| logSw: | -2.8334 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.974 |
| InChI Key: | CEICVUCFKFAYJL-FSZRXZPDSA-N |