N-(4-fluorophenyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide
N-(4-fluorophenyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide
Compound characteristics
| Compound ID: | V017-1396 |
| Compound Name: | N-(4-fluorophenyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}acetamide |
| Molecular Weight: | 478.54 |
| Molecular Formula: | C28 H28 F2 N2 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9764 |
| logD: | 5.9763 |
| logSw: | -5.53 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.982 |
| InChI Key: | LNJFKRCVMJCYDX-NDEPHWFRSA-N |