N-[(3-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Chemical Structure Depiction of
N-[(3-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
N-[(3-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Compound characteristics
| Compound ID: | V009-0527 |
| Compound Name: | N-[(3-fluorophenyl)methyl]-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide |
| Molecular Weight: | 506.59 |
| Molecular Formula: | C30 H32 F2 N2 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(NCc1cccc(c1)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.762 |
| logD: | 5.762 |
| logSw: | -5.5067 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.808 |
| InChI Key: | GBNKRKVTOJEAIJ-UHFFFAOYSA-N |