2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide
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]propanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V004-3699 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyridin-2-yl)ethyl]propanamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C30 H34 F N3 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(NCCc1ccccn1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8636 |
| logD: | 4.8587 |
| logSw: | -4.4821 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.192 |
| InChI Key: | NIPDHBDKYLQXFA-UHFFFAOYSA-N |