2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]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-{[4-(propan-2-yl)phenoxy]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-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V017-2438 |
| Compound Name: | 2-[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(propyl)amino]-1-[4-{[4-(propan-2-yl)phenoxy]methyl}-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 498.69 |
| Molecular Formula: | C28 H38 N2 O4 S |
| Salt: | not_available |
| Smiles: | CCCN(CC(COCC#C)O)CC(N1CCc2c(ccs2)C1COc1ccc(cc1)C(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8136 |
| logD: | 4.8117 |
| logSw: | -4.2947 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.009 |
| InChI Key: | LZFMQMXUAYNKPQ-UHFFFAOYSA-N |