2-{[2-acetyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)butanamide
Chemical Structure Depiction of
2-{[2-acetyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)butanamide
2-{[2-acetyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)butanamide
Compound characteristics
| Compound ID: | V016-0108 |
| Compound Name: | 2-{[2-acetyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(4-fluorophenyl)butanamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C28 H29 F N2 O3 |
| Smiles: | CCC(C(Nc1ccc(cc1)F)=O)Oc1ccc2CCN(C(c3cccc(C)c3)c2c1)C(C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6968 |
| logD: | 5.6964 |
| logSw: | -5.4132 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.364 |
| InChI Key: | JISNSMRADLWESK-UHFFFAOYSA-N |