rel-(6R,7aS)-N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0621 |
| Compound Name: | rel-(6R,7aS)-N-[(2-chlorophenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 482.96 |
| Molecular Formula: | C26 H27 Cl N2 O5 |
| Smiles: | COc1ccc(CCN2C[C@@]34C=C[C@@H](C(C(NCc5ccccc5[Cl])=O)[C@H]3C2=O)O4)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7256 |
| logD: | 2.7255 |
| logSw: | -3.5168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.2 |
| InChI Key: | BQPRUULXSANZIM-KWPLALLVSA-N |