N-[rel-(1R,4R,5R)-2-{[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
Chemical Structure Depiction of
N-[rel-(1R,4R,5R)-2-{[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
N-[rel-(1R,4R,5R)-2-{[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]heptan-5-yl]benzamide
Compound characteristics
| Compound ID: | S034-0976 |
| Compound Name: | N-[rel-(1R,4R,5R)-2-{[4-(trifluoromethoxy)phenyl]acetyl}-2-azabicyclo[2.2.1]heptan-5-yl]benzamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C22 H21 F3 N2 O3 |
| Smiles: | C(C(N1C[C@@H]2C[C@H]1C[C@@H]2NC(c1ccccc1)=O)=O)c1ccc(cc1)OC(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.898 |
| logD: | 3.898 |
| logSw: | -4.1886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.684 |
| InChI Key: | TUWYHADMWRDMJL-JENIJYKNSA-N |