methyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Chemical Structure Depiction of
methyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
methyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
Compound characteristics
| Compound ID: | 6283-0227 |
| Compound Name: | methyl rel-(6R,7aS)-2-[1-(4-methoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C19 H21 N O5 |
| Smiles: | CC(c1ccc(cc1)OC)N1C[C@]23C=C[C@H](C(C(=O)OC)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1816 |
| logD: | 2.1816 |
| logSw: | -2.4836 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.772 |
| InChI Key: | NNCKSAGIHJUGAY-KSINFXCZSA-N |