rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-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-N~7~-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4047 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 545.64 |
| Molecular Formula: | C31 H35 N3 O6 |
| Smiles: | COc1ccc(CN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5cccc(c5)OC)=O)[C@@H]3C2=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8912 |
| logD: | 3.8762 |
| logSw: | -4.1415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.884 |
| InChI Key: | RWPVWQMZQQNKOO-CNJXUDLYSA-N |