2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V030-7801 |
| Compound Name: | 2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-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(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7641 |
| logD: | 5.7641 |
| logSw: | -5.477 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.819 |
| InChI Key: | MJHUFZTWBDXEEH-UHFFFAOYSA-N |