N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
Chemical Structure Depiction of
N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
Compound characteristics
| Compound ID: | S034-0971 |
| Compound Name: | N-[rel-(1R,4R,5R)-2-(2H-1,3-benzodioxole-5-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C21 H20 N2 O4 |
| Smiles: | C1[C@H]2CN(C(c3ccc4c(c3)OCO4)=O)[C@@H]1C[C@@H]2NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4626 |
| logD: | 2.4626 |
| logSw: | -3.0536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.39 |
| InChI Key: | YVMHJYFMDMSJTD-ULQDDVLXSA-N |