2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]acetamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V003-7827 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]acetamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C29 H32 F N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OCC(NCCc1ccccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3376 |
| logD: | 4.3327 |
| logSw: | -4.205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.689 |
| InChI Key: | JZMFQQZVOCKKHC-LJAQVGFWSA-N |