1-[1-(3-fluorophenyl)-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[1-(3-fluorophenyl)-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-[1-(3-fluorophenyl)-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V024-1347 |
| Compound Name: | 1-[1-(3-fluorophenyl)-7-{[4-(thiomorpholine-4-carbonyl)-1,3-thiazol-2-yl]methoxy}-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 511.64 |
| Molecular Formula: | C26 H26 F N3 O3 S2 |
| Smiles: | CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1nc(cs1)C(N1CCSCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1532 |
| logD: | 4.1532 |
| logSw: | -4.262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.977 |
| InChI Key: | SDXOBGLFOBHGJX-VWLOTQADSA-N |