rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0028 |
| Compound Name: | rel-(6R,7R,7aS)-2-[3-(morpholin-4-yl)propyl]-1-oxo-N-[4-(propan-2-yl)phenyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C25 H33 N3 O4 |
| Smiles: | CC(C)c1ccc(cc1)NC([C@@H]1[C@@H]2C=C[C@@]3(CN(CCCN4CCOCC4)C([C@H]13)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5002 |
| logD: | 2.2526 |
| logSw: | -2.9487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.508 |
| InChI Key: | JCUAKYNOPWFLHK-FFHOAYQKSA-N |