rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-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~3~-cyclohexyl-N~7~-(4-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide
Compound characteristics
| Compound ID: | C073-4145 |
| Compound Name: | rel-(3aR,6S,7R,7aS)-N~3~-cyclohexyl-N~7~-(4-methoxyphenyl)-2-[2-(morpholin-4-yl)ethyl]-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-3,7-dicarboxamide |
| Molecular Weight: | 538.64 |
| Molecular Formula: | C29 H38 N4 O6 |
| Smiles: | COc1ccc(cc1)NC([C@@H]1[C@@H]2C(N(CCN3CCOCC3)C(C(NC3CCCCC3)=O)[C@@]23C=C[C@@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.073 |
| logD: | 2.038 |
| logSw: | -2.6401 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.21 |
| InChI Key: | IWTSQMQPNLLYPW-XXVWYLNPSA-N |