1-[1-(3-fluorophenyl)-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[1-(3-fluorophenyl)-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
1-[1-(3-fluorophenyl)-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | V003-9519 |
| Compound Name: | 1-[1-(3-fluorophenyl)-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]-3-methylbutan-1-one |
| Molecular Weight: | 536.67 |
| Molecular Formula: | C30 H33 F N2 O4 S |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1ccc(C(N2CCSCC2)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6801 |
| logD: | 5.6801 |
| logSw: | -5.5093 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.323 |
| InChI Key: | QANCJXKBNZHHQC-LJAQVGFWSA-N |