3-methyl-1-[1-phenyl-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Chemical Structure Depiction of
3-methyl-1-[1-phenyl-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
3-methyl-1-[1-phenyl-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one
Compound characteristics
Compound ID: | V024-0096 |
Compound Name: | 3-methyl-1-[1-phenyl-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]butan-1-one |
Molecular Weight: | 535.73 |
Molecular Formula: | C29 H33 N3 O3 S2 |
Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1ccccc1)OCc1nc(cs1)C(N1CCSCC1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.5073 |
logD: | 5.5073 |
logSw: | -5.471 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.982 |
InChI Key: | YBIMVWMKNJMOBH-NDEPHWFRSA-N |