1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
Chemical Structure Depiction of
1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
Compound characteristics
Compound ID: | V022-3314 |
Compound Name: | 1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one |
Molecular Weight: | 472.58 |
Molecular Formula: | C25 H29 F N2 O4 S |
Salt: | not_available |
Smiles: | C=CCN(CC(COCC#C)O)CC(N1CCc2c(ccs2)C1COc1cccc(c1)F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.3684 |
logD: | 3.368 |
logSw: | -3.4016 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.009 |
InChI Key: | LCYRQNCVLAAPBO-UHFFFAOYSA-N |