N-benzyl-2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide
N-benzyl-2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V003-7742 |
| Compound Name: | N-benzyl-2-({[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 557.69 |
| Molecular Formula: | C32 H32 F N3 O3 S |
| Smiles: | CC(C)(C)C(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1nc(cs1)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6495 |
| logD: | 6.6495 |
| logSw: | -5.7159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.275 |
| InChI Key: | MURORDOLLGCLLL-LJAQVGFWSA-N |