2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-methylphenyl)methyl]acetamide
2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | V003-7896 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(3-methylphenyl)methyl]acetamide |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C30 H33 F N2 O3 |
| Smiles: | Cc1cccc(CNC(COc2ccc3CCN(C(c4ccc(cc4)F)c3c2)C(C(C)(C)C)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0844 |
| logD: | 6.0844 |
| logSw: | -5.5102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.832 |
| InChI Key: | NQKKTLYNPVDUNI-NDEPHWFRSA-N |