2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V004-3688 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C28 H35 F N2 O3 |
| Smiles: | CCC(C(N1CCCC1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.782 |
| logD: | 5.782 |
| logSw: | -5.4668 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.292 |
| InChI Key: | PSPLDJRPQFSDOD-UHFFFAOYSA-N |