rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1-oxo-N~7~-(4-phenoxyphenyl)-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-[(4-methoxyphenyl)methyl]-1-oxo-N~7~-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1-oxo-N~7~-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4479 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[(4-methoxyphenyl)methyl]-1-oxo-N~7~-(4-phenoxyphenyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 607.71 |
| Molecular Formula: | C36 H37 N3 O6 |
| Smiles: | COc1ccc(CN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5ccc(cc5)Oc5ccccc5)=O)[C@@H]3C2=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5148 |
| logD: | 5.5126 |
| logSw: | -5.428 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.089 |
| InChI Key: | NTMAGNFOZUTTBY-PAYBXJDISA-N |