rel-(3aR,4R,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
Chemical Structure Depiction of
rel-(3aR,4R,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
rel-(3aR,4R,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide
Compound characteristics
| Compound ID: | S890-0097 |
| Compound Name: | rel-(3aR,4R,7aS)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxyoctahydro-2H-isoindole-2-carboxamide |
| Molecular Weight: | 332.4 |
| Molecular Formula: | C18 H24 N2 O4 |
| Smiles: | [H][C@@]12CCC[C@H]([C@@]2([H])CN(C1)C(Nc1ccc2c(c1)OCCO2)=O)OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.3062 |
| logD: | 1.3062 |
| logSw: | -2.0697 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.685 |
| InChI Key: | XARFBAZLEQBZEJ-SNPRPXQTSA-N |