1-[1-(3-fluorophenyl)-7-({4-[4-(prop-2-en-1-yl)piperazine-1-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-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methoxy)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
1-[1-(3-fluorophenyl)-7-({4-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methoxy)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V024-1358 |
| Compound Name: | 1-[1-(3-fluorophenyl)-7-({4-[4-(prop-2-en-1-yl)piperazine-1-carbonyl]-1,3-thiazol-2-yl}methoxy)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one |
| Molecular Weight: | 534.65 |
| Molecular Formula: | C29 H31 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OCc1nc(cs1)C(N1CCN(CC1)CC=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1478 |
| logD: | 4.1064 |
| logSw: | -4.2366 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.768 |
| InChI Key: | XQJKXCLHTRVZNO-NDEPHWFRSA-N |