rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-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~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-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~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-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: | C073-4944 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-N~7~-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 576.78 |
| Molecular Formula: | C34 H48 N4 O4 |
| Smiles: | CC1CCN(CCCN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5ccc(cc5)C(C)C)=O)[C@@H]3C2=O)O4)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0624 |
| logD: | 2.9555 |
| logSw: | -4.5337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.758 |
| InChI Key: | JNLKQJHWDLGMSI-QMDGTFCHSA-N |