N-[(4-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-[(4-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V027-1819 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[2-(3-methylbutanoyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C32 H37 F N2 O3 |
| Smiles: | CCC(C(NCc1ccc(cc1)F)=O)Oc1ccc2CCN(C(c3ccc(C)cc3)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5352 |
| logD: | 6.5352 |
| logSw: | -5.5968 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.691 |
| InChI Key: | WJYUBXMBYIHFIO-UHFFFAOYSA-N |