rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-2-(4-methylcyclohexyl)-1-oxo-N~7~-[4-(propan-2-yl)phenyl]-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)-2-(4-methylcyclohexyl)-1-oxo-N~7~-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-2-(4-methylcyclohexyl)-1-oxo-N~7~-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-6223 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-(2-methylcyclohexyl)-2-(4-methylcyclohexyl)-1-oxo-N~7~-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C33 H45 N3 O4 |
| Smiles: | CC1CCC(CC1)N1C(C(NC2CCCCC2C)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)C(C)C)=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3696 |
| logD: | 6.3674 |
| logSw: | -5.6902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.409 |
| InChI Key: | XLYAUFVOMHYBTG-CTIOASAHSA-N |