rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-N~7~-(3-methylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Chemical Structure Depiction of
rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-N~7~-(3-methylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-N~7~-(3-methylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-6432 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-N~7~-(3-methylphenyl)-1-oxo-2-(2-phenylethyl)-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 527.66 |
| Molecular Formula: | C32 H37 N3 O4 |
| Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(C)c4)=O)[C@@H]2C(N1CCc1ccccc1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8896 |
| logD: | 4.8885 |
| logSw: | -4.675 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.165 |
| InChI Key: | CFWIPVPIPWWHSR-CPIJNKGCSA-N |