rel-(3aR,6S,7R,7aS)-2-butyl-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-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-butyl-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-butyl-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4653 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-butyl-N~7~-(3-chloro-4-methylphenyl)-N~3~-cyclohexyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 500.04 |
| Molecular Formula: | C27 H34 Cl N3 O4 |
| Smiles: | CCCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(C)c(c4)[Cl])=O)[C@@H]2C1=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1013 |
| logD: | 4.965 |
| logSw: | -5.4684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.047 |
| InChI Key: | QIHZBDGOFOUGTE-HIAIHWCLSA-N |