2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V022-9907 |
| Compound Name: | 2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-{4-[(3-methoxyphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C26 H34 N2 O5 S |
| Salt: | not_available |
| Smiles: | CCCN(CC(COCC#C)O)CC(N1CCc2c(ccs2)C1COc1cccc(c1)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.523 |
| logD: | 3.521 |
| logSw: | -3.658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.553 |
| InChI Key: | VUTGIDXRDBPHMC-UHFFFAOYSA-N |