2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(2-methoxyethyl)butanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(2-methoxyethyl)butanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(2-methoxyethyl)butanamide
Compound characteristics
| Compound ID: | V004-7019 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(2-methoxyethyl)butanamide |
| Molecular Weight: | 470.58 |
| Molecular Formula: | C27 H35 F N2 O4 |
| Smiles: | CCC(C(NCCOC)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9016 |
| logD: | 4.9016 |
| logSw: | -4.5381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.146 |
| InChI Key: | JGOQCYSSEDCMPU-UHFFFAOYSA-N |