rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Chemical Structure Depiction of
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C123-0417 |
| Compound Name: | rel-(6R,7R,7aS)-2-[(2-chlorophenyl)methyl]-1-oxo-N-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | C(c1cccnc1)NC([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4[Cl])C([C@H]13)=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6869 |
| logD: | 1.6845 |
| logSw: | -2.3323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.479 |
| InChI Key: | HFYNTRGZLVFMRD-LMVRJCEZSA-N |