2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]acetamide
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V029-7741 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 492.57 |
| Molecular Formula: | C29 H30 F2 N2 O3 |
| Smiles: | CC(C)(C)C(N1CCc2ccc(cc2C1c1ccc(cc1)F)OCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.425 |
| logD: | 5.425 |
| logSw: | -5.4492 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.832 |
| InChI Key: | RZVYTUVMRVMYTK-MHZLTWQESA-N |