2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)propanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)propanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)propanamide
Compound characteristics
| Compound ID: | V014-3762 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(3-methylphenyl)propanamide |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C30 H33 F N2 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(Nc1cccc(C)c1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4397 |
| logD: | 6.4397 |
| logSw: | -5.6261 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.486 |
| InChI Key: | VPTQHGVMFONCJK-UHFFFAOYSA-N |