rel-(6R,7R,7aS)-N-(2-methoxyphenyl)-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-(2-methoxyphenyl)-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-(2-methoxyphenyl)-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0057 |
| Compound Name: | rel-(6R,7R,7aS)-N-(2-methoxyphenyl)-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | COc1ccccc1NC([C@@H]1[C@@H]2C(N(Cc3cccnc3)C[C@]23C=C[C@H]1O3)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4026 |
| logD: | 1.3954 |
| logSw: | -1.4399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.089 |
| InChI Key: | OFLPRFFLCKYSPO-MOXWOTFGSA-N |