rel-(3aR,6S,7R,7aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-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: | C073-5341 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 603.72 |
| Molecular Formula: | C34 H41 N3 O7 |
| Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1CCc1ccc(c(c1)OC)OC)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1131 |
| logD: | 4.0981 |
| logSw: | -4.357 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.97 |
| InChI Key: | YZOCTFLPLSJNFH-SMUFNPHSSA-N |