rel-(6R,7R,7aS)-N-cycloheptyl-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-cycloheptyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
rel-(6R,7R,7aS)-N-cycloheptyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide
Compound characteristics
| Compound ID: | C428-0055 |
| Compound Name: | rel-(6R,7R,7aS)-N-cycloheptyl-1-oxo-2-[(pyridin-3-yl)methyl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxamide |
| Molecular Weight: | 381.47 |
| Molecular Formula: | C22 H27 N3 O3 |
| Smiles: | C1CCCC(CC1)NC([C@@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccnc4)C([C@H]13)=O)O2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.961 |
| logD: | 1.9606 |
| logSw: | -1.86 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.535 |
| InChI Key: | UOCISZFZWYHAPM-MOXWOTFGSA-N |