1-[1-phenyl-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-phenyl-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-[1-phenyl-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V031-1809 |
| Compound Name: | 1-[1-phenyl-7-{[5-(thiomorpholine-4-carbonyl)furan-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C27 H28 N2 O4 S |
| Smiles: | CC(N1CCc2ccc(cc2C1c1ccccc1)OCc1ccc(C(N2CCSCC2)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1626 |
| logD: | 4.1626 |
| logSw: | -4.2197 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.318 |
| InChI Key: | HCKLSXWDSCHDAS-SANMLTNESA-N |