rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-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~3~-cyclohexyl-N~7~-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | K784-3118 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 547.63 |
| Molecular Formula: | C31 H34 F N3 O5 |
| Smiles: | C[C@]12C=C[C@@]3(C(C(NC4CCCCC4)=O)N(Cc4ccc(cc4)OC)C([C@H]3[C@H]1C(Nc1ccc(cc1)F)=O)=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1545 |
| logD: | 4.0203 |
| logSw: | -4.2763 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.638 |
| InChI Key: | CDHBAYNFBRNTRZ-QFUVHZKPSA-N |