rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4117 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 589.69 |
| Molecular Formula: | C33 H39 N3 O7 |
| Smiles: | COc1ccc(cc1)NC([C@@H]1[C@@H]2C(N(CCc3ccc(c(c3)OC)OC)C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8107 |
| logD: | 3.8074 |
| logSw: | -4.1719 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.58 |
| InChI Key: | XYGIAVBQGPDBPP-VWTHZBQDSA-N |