rel-(6R,7R,7aS)-1-oxo-N-[4-(propan-2-yl)phenyl]-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-1-oxo-N-[4-(propan-2-yl)phenyl]-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-1-oxo-N-[4-(propan-2-yl)phenyl]-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0132 |
| Compound Name: | rel-(6R,7R,7aS)-1-oxo-N-[4-(propan-2-yl)phenyl]-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C24 H25 N3 O3 |
| Smiles: | CC(C)c1ccc(cc1)NC([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C([C@H]13)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6891 |
| logD: | 2.6883 |
| logSw: | -2.7313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.156 |
| InChI Key: | NMEMDHFMQYFDEN-WHLIWEHUSA-N |