rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | K786-9188 |
| Compound Name: | rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C24 H23 Cl N2 O4 |
| Smiles: | COc1cccc(CNC([C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5ccccc5[Cl])C([C@H]24)=O)O3)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0119 |
| logD: | 3.0119 |
| logSw: | -3.5276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.505 |
| InChI Key: | IWIVCSVCCHKYGR-XBJMDHIQSA-N |