rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-2-[2-(4-methylphenyl)ethyl]-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~-(3,4-dichlorophenyl)-6-methyl-2-[2-(4-methylphenyl)ethyl]-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~-(3,4-dichlorophenyl)-6-methyl-2-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | K784-3174 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-2-[2-(4-methylphenyl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 596.55 |
| Molecular Formula: | C32 H35 Cl2 N3 O4 |
| Smiles: | Cc1ccc(CCN2C(C(NC3CCCCC3)=O)[C@@]34C=C[C@@](C)([C@H](C(Nc5ccc(c(c5)[Cl])[Cl])=O)[C@@H]3C2=O)O4)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5097 |
| logD: | 5.0561 |
| logSw: | -6.2751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.073 |
| InChI Key: | UKCDVCKVHRPGLI-JXZDNZNBSA-N |