N-benzyl-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Chemical Structure Depiction of
N-benzyl-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
N-benzyl-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Compound characteristics
| Compound ID: | V004-2478 |
| Compound Name: | N-benzyl-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide |
| Molecular Weight: | 488.6 |
| Molecular Formula: | C30 H33 F N2 O3 |
| Smiles: | CC(C(NCc1ccccc1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5801 |
| logD: | 5.5801 |
| logSw: | -5.4383 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.335 |
| InChI Key: | VQDVNUWJSDYFOV-UHFFFAOYSA-N |