2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one
Compound characteristics
| Compound ID: | V010-6425 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(thiomorpholin-4-yl)butan-1-one |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C26 H31 F N2 O3 S |
| Smiles: | CCC(C(N1CCSCC1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6321 |
| logD: | 4.6321 |
| logSw: | -4.4972 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.926 |
| InChI Key: | WLXZTZRNSSODDO-UHFFFAOYSA-N |