1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | V018-8824 |
| Compound Name: | 1-[7-{[4-(4-acetylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]methoxy}-1-(4-fluorophenyl)-3,4-dihydroisoquinolin-2(1H)-yl]propan-1-one |
| Molecular Weight: | 550.65 |
| Molecular Formula: | C29 H31 F N4 O4 S |
| Smiles: | CCC(N1CCc2ccc(cc2C1c1ccc(cc1)F)OCc1nc(cs1)C(N1CCN(CC1)C(C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9595 |
| logD: | 3.9595 |
| logSw: | -3.8525 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.178 |
| InChI Key: | AFZHARBQRHDVEI-NDEPHWFRSA-N |