rel-(3aR,6S,7R,7aS)-2-benzyl-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-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-benzyl-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-benzyl-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
Compound ID: | C073-5370 |
Compound Name: | rel-(3aR,6S,7R,7aS)-2-benzyl-N~7~-(3-methoxyphenyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
Molecular Weight: | 529.64 |
Molecular Formula: | C31 H35 N3 O5 |
Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1Cc1ccccc1)=O)O3)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.1271 |
logD: | 4.1121 |
logSw: | -4.4072 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.731 |
InChI Key: | AKDBWSNDIJKLIZ-SZDBBDLISA-N |