rel-(6R,7R,7aS)-N-[(4-methylphenyl)methyl]-1-oxo-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)-N-[(4-methylphenyl)methyl]-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-[(4-methylphenyl)methyl]-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0056 |
| Compound Name: | rel-(6R,7R,7aS)-N-[(4-methylphenyl)methyl]-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | Cc1ccc(CNC([C@@H]2[C@@H]3C=C[C@@]4(CN(Cc5cccnc5)C([C@H]24)=O)O3)=O)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.2551 |
| logD: | 1.2547 |
| logSw: | -1.2456 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.479 |
| InChI Key: | GAXWPAXSULRSAT-AWWSKVOZSA-N |