rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~,2-bis(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)-N~7~-(3-methoxyphenyl)-N~3~,2-bis(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~,2-bis(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-5361 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(3-methoxyphenyl)-N~3~,2-bis(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 535.68 |
| Molecular Formula: | C31 H41 N3 O5 |
| Smiles: | CC1CCCCC1NC(C1[C@@]23C=C[C@@H]([C@H](C(Nc4cccc(c4)OC)=O)[C@@H]2C(N1C1CCCCC1C)=O)O3)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.488 |
| logD: | 4.473 |
| logSw: | -4.478 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.418 |
| InChI Key: | YPKNPMJXIKBUPA-IUFIEFQOSA-N |