1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(propan-2-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-[(propan-2-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-[(propan-2-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one
Compound characteristics
| Compound ID: | V022-3396 |
| Compound Name: | 1-{4-[(3-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}-2-[{2-hydroxy-3-[(propan-2-yl)oxy]propyl}(prop-2-en-1-yl)amino]ethan-1-one |
| Molecular Weight: | 476.61 |
| Molecular Formula: | C25 H33 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)OCC(CN(CC=C)CC(N1CCc2c(ccs2)C1COc1cccc(c1)F)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.89 |
| logD: | 3.8889 |
| logSw: | -3.8882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.939 |
| InChI Key: | VRITYHQNNQVFHS-UHFFFAOYSA-N |