2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]propanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V017-7598 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C28 H35 F N2 O4 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(NCC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4738 |
| logD: | 4.4738 |
| logSw: | -4.2108 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.462 |
| InChI Key: | OCMMHVGQRPJBBH-UHFFFAOYSA-N |