rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K786-9185 |
| Compound Name: | rel-(6R,7aS)-2-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 458 |
| Molecular Formula: | C25 H32 Cl N3 O3 |
| Smiles: | CC1CCCC(C)N1CCNC(C1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4[Cl])C([C@H]13)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8983 |
| logD: | 0.5898 |
| logSw: | -3.4922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.34 |
| InChI Key: | BGRSGIWVTLNASZ-HKXYUDSHSA-N |