2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V023-0685 |
| Compound Name: | 2-(ethyl{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino)-1-{4-[(2-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 456.6 |
| Molecular Formula: | C25 H32 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC(COCC#C)O)CC(N1CCc2c(ccs2)C1COc1ccccc1C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6476 |
| logD: | 3.6458 |
| logSw: | -3.7231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.842 |
| InChI Key: | SWTAJAFUZPRWQC-UHFFFAOYSA-N |