rel-(6R,7R,7aS)-1-oxo-2-[(pyridin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-1-oxo-2-[(pyridin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-1-oxo-2-[(pyridin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0054 |
| Compound Name: | rel-(6R,7R,7aS)-1-oxo-2-[(pyridin-3-yl)methyl]-N-[(thiophen-2-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | C(c1cccs1)NC([C@@H]1[C@@H]2C(N(Cc3cccnc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.8068 |
| logD: | 0.8064 |
| logSw: | -1.6563 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.497 |
| InChI Key: | PIWRIHHBEJPSIQ-YZLZLFLDSA-N |