rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methylphenyl)-1-oxo-2-propyl-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-methylphenyl)-1-oxo-2-propyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methylphenyl)-1-oxo-2-propyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
Compound ID: | C073-5058 |
Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methylphenyl)-1-oxo-2-propyl-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
Molecular Weight: | 451.57 |
Molecular Formula: | C26 H33 N3 O4 |
Smiles: | CCCN1C(C(NC2CCCCC2)=O)[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(C)cc4)=O)[C@@H]2C1=O)O3 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.705 |
logD: | 3.7029 |
logSw: | -3.863 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.047 |
InChI Key: | VNDIYDQRNUNPPI-HGBNJVFYSA-N |