rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-fluorophenyl)-6-methyl-2-[(4-methylphenyl)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)-6-methyl-2-[(4-methylphenyl)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)-6-methyl-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | K784-3090 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-fluorophenyl)-6-methyl-2-[(4-methylphenyl)methyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C31 H34 F N3 O4 |
| Smiles: | Cc1ccc(CN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@](C)([C@H](C(Nc5ccc(cc5)F)=O)[C@@H]3C2=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5956 |
| logD: | 4.4613 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.094 |
| InChI Key: | JZSUJDQZYLCYTN-MVRJTZCKSA-N |