rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-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~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4656 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)propyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 583.17 |
| Molecular Formula: | C32 H43 Cl N4 O4 |
| Smiles: | CC1CCN(CCCN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@H]([C@H](C(Nc5ccc(C)c(c5)[Cl])=O)[C@@H]3C2=O)O4)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1144 |
| logD: | 3.0075 |
| logSw: | -5.5596 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.758 |
| InChI Key: | DXUBLRKAJNNSDM-PMDNFXJQSA-N |