rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-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-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
Compound ID: | C073-4069 |
Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(2-chlorophenyl)ethyl]-N~3~-cyclohexyl-N~7~-(3-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
Molecular Weight: | 564.08 |
Molecular Formula: | C31 H34 Cl N3 O5 |
Smiles: | COc1cccc(c1)NC([C@@H]1[C@@H]2C(N(CCc3ccccc3[Cl])C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.9642 |
logD: | 4.9492 |
logSw: | -5.1079 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.319 |
InChI Key: | FOJCTISSZFDXHL-CNJXUDLYSA-N |