rel-(3aR,6S,7R,7aS)-2-cyclooctyl-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-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-cyclooctyl-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-2-cyclooctyl-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-2819 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-2-cyclooctyl-N~3~-(2,3-dimethylcyclohexyl)-N~7~-(4-methoxyphenyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 563.74 |
| Molecular Formula: | C33 H45 N3 O5 |
| Smiles: | CC1CCCC(C1C)NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4ccc(cc4)OC)=O)[C@@H]2C(N1C1CCCCCCC1)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1598 |
| logD: | 5.1565 |
| logSw: | -5.0341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.283 |
| InChI Key: | MOBABIJANOFTTR-YOBUAFPSSA-N |