2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)butanamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)butanamide
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)butanamide
Compound characteristics
| Compound ID: | V016-3348 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)butanamide |
| Molecular Weight: | 502.63 |
| Molecular Formula: | C31 H35 F N2 O3 |
| Smiles: | CCC(C(Nc1cccc(C)c1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9366 |
| logD: | 6.9366 |
| logSw: | -5.7051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.896 |
| InChI Key: | VHWBRVVLJSAZGA-UHFFFAOYSA-N |