rel-(3aR,6S,7R,7aS)-2-(butan-2-yl)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-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)-2-(butan-2-yl)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-(butan-2-yl)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | K784-3232 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-(butan-2-yl)-N~3~-cyclohexyl-N~7~-(3,4-dichlorophenyl)-6-methyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 534.48 |
| Molecular Formula: | C27 H33 Cl2 N3 O4 |
| Smiles: | CCC(C)N1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@](C)([C@H](C(Nc4ccc(c(c4)[Cl])[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4167 |
| logD: | 3.9631 |
| logSw: | -5.881 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.671 |
| InChI Key: | WQFCBVXRLDTRAO-ISCPJSKKSA-N |