2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide
Compound characteristics
| Compound ID: | V004-6998 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(prop-2-en-1-yl)butanamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C27 H33 F N2 O3 |
| Smiles: | CCC(C(NCC=C)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3236 |
| logD: | 5.3236 |
| logSw: | -5.3311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.804 |
| InChI Key: | VOCLFHBOOPTHPQ-UHFFFAOYSA-N |