rel-(3aR,6S,7R,7aS)-N~7~-(4-ethoxyphenyl)-2-(3-methoxypropyl)-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)-N~7~-(4-ethoxyphenyl)-2-(3-methoxypropyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~7~-(4-ethoxyphenyl)-2-(3-methoxypropyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-5727 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~7~-(4-ethoxyphenyl)-2-(3-methoxypropyl)-N~3~-(2-methylcyclohexyl)-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 525.65 |
| Molecular Formula: | C29 H39 N3 O6 |
| Smiles: | CCOc1ccc(cc1)NC([C@@H]1[C@@H]2C(N(CCCOC)C(C(NC3CCCCC3C)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.229 |
| logD: | 3.2256 |
| logSw: | -3.7983 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.903 |
| InChI Key: | CAAIONOCIPGSRV-KTSOHPIZSA-N |